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

C9H16FNO2 — CID 59075848

IUPAC(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
InChIInChI=1S/C9H16FNO2/c1-9(2)11(3)8(6-13-9)4-7(10)5-12/h4,8,12H,5-6H2,1-3H3/b7-4+/t8-/m0/s1
InChIKeyIDZHEDCJAPGMNL-IPWDFOCMSA-N
MW189.23 g/mol
LogP0.90
Rot. Bonds2

About (E)-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 59075848) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol
PubChem CID59075848
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(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
InChIInChI=1S/C9H16FNO2/c1-9(2)11(3)8(6-13-9)4-7(10)5-12/h4,8,12H,5-6H2,1-3H3/b7-4+/t8-/m0/s1
InChIKeyIDZHEDCJAPGMNL-IPWDFOCMSA-N
XLogP0.90
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (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

tert-butyl (4R)-4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 638937
tert-butyl 4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 22298066
tert-butyl (4S)-4-[(Z)-2-fluoro-3-hydroxyprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 12072725
(Z)-2-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-2-en-1-ol
CID 59072751
(Z)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol
CID 59075833
(4S)-4-[(Z)-2-fluoroprop-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine
CID 59075842
(4S)-4-[(Z)-2-fluorobut-1-enyl]-2,2,3-trimethyl-1,3-oxazolidine
CID 59075850
(Z)-2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol
CID 59883054
(Z)-2-fluoro-5-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)pent-2-en-1-ol
CID 59888644
2-Fluoro-5-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)pent-2-en-1-ol
CID 72507519
2-fluoro-5-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]pent-2-en-1-ol
CID 90954305
(4S)-4-(2-fluorobut-1-enyl)-2,2,3-trimethyl-1,3-oxazolidine
CID 91048360

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol?
The IUPAC name of (E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol (CID 59075848) is (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 (E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol?
The canonical SMILES for (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.
What is the InChIKey of (E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol?
The InChIKey is IDZHEDCJAPGMNL-IPWDFOCMSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-9(2)11(3)8(6-13-9)4-7(10)5-12/h4,8,12H,5-6H2,1-3H3/b7-4+/t8-/m0/s1.
What are the key properties of (E)-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 189.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol is sourced from PubChem (CID 59075848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).