(Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol

C18H32F2N2O4 — CID 160729054

IUPAC(Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol
SMILESCN1[C@@H](/C=C(/F)CO)COC1(C)C.CN1[C@@H](/C=C(\F)CO)COC1(C)C
InChIInChI=1S/2C9H16FNO2/c2*1-9(2)11(3)8(6-13-9)4-7(10)5-12/h2*4,8,12H,5-6H2,1-3H3/b7-4+;7-4-/t2*8-/m00/s1
InChIKeyRUBXYOOBOBGWBO-LWGTVCOCSA-N
MW378.46 g/mol
LogP1.80
Rot. Bonds4

About (Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol

(Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol (PubChem CID 160729054) has the molecular formula C18H32F2N2O4 and a molecular weight of 378.46 g/mol. Its IUPAC name is (Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol
PubChem CID160729054
Molecular FormulaC18H32F2N2O4
Molecular Weight378.46 g/mol
Exact Mass378.23
IUPAC Name(Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol
SMILESCN1[C@@H](/C=C(/F)CO)COC1(C)C.CN1[C@@H](/C=C(\F)CO)COC1(C)C
InChIInChI=1S/2C9H16FNO2/c2*1-9(2)11(3)8(6-13-9)4-7(10)5-12/h2*4,8,12H,5-6H2,1-3H3/b7-4+;7-4-/t2*8-/m00/s1
InChIKeyRUBXYOOBOBGWBO-LWGTVCOCSA-N
XLogP1.80
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-ethenyl-2,2,3-trimethyl-1,3-oxazolidine
CID 170267213
tert-butyl (4R)-4-[(Z)-3-bromo-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 638993
tert-butyl (4S)-4-(3-hydroxy-2-methylprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91132840
4-[(Z)-3-fluoro-4-isocyanobut-2-enyl]-2,2,3-trimethyl-1,3-oxazolidine
CID 59883062
2-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)acetaldehyde
CID 22971630
(4S)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 57042631
3-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propanoic acid
CID 23594724
tert-butyl 4-[(E)-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14660983
tert-butyl 2,2-dimethyl-4-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]-1,3-oxazolidine-3-carboxylate
CID 72816401
CID 58879223
CID 58879223
4-ethenyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 23157098
tert-butyl (4S)-4-[(Z)-2-fluoroethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15319101

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol?
The IUPAC name of (Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol (CID 160729054) is (Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol.
What is the SMILES notation for (Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol?
The canonical SMILES for (Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol is CN1[C@@H](/C=C(/F)CO)COC1(C)C.CN1[C@@H](/C=C(\F)CO)COC1(C)C.
What is the InChIKey of (Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol?
The InChIKey is RUBXYOOBOBGWBO-LWGTVCOCSA-N. The full InChI is InChI=1S/2C9H16FNO2/c2*1-9(2)11(3)8(6-13-9)4-7(10)5-12/h2*4,8,12H,5-6H2,1-3H3/b7-4+;7-4-/t2*8-/m00/s1.
What are the key properties of (Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol?
(Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol has a molecular weight of 378.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol;(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 160729054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).