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

C10H18FNO2 — CID 91550591

IUPAC2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol
SMILESCN1[C@@H](CC=C(F)CO)COC1(C)C
InChIInChI=1S/C10H18FNO2/c1-10(2)12(3)9(7-14-10)5-4-8(11)6-13/h4,9,13H,5-7H2,1-3H3/t9-/m0/s1
InChIKeyDNWBECOZMUCMQB-VIFPVBQESA-N
MW203.26 g/mol
LogP1.29
Rot. Bonds3

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

2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol (PubChem CID 91550591) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol.

Molecular Properties

Compound Name2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol
PubChem CID91550591
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol
SMILESCN1[C@@H](CC=C(F)CO)COC1(C)C
InChIInChI=1S/C10H18FNO2/c1-10(2)12(3)9(7-14-10)5-4-8(11)6-13/h4,9,13H,5-7H2,1-3H3/t9-/m0/s1
InChIKeyDNWBECOZMUCMQB-VIFPVBQESA-N
XLogP1.29
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

(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
(E)-2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol
CID 59075848
(Z)-2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol
CID 59883054
tert-butyl (4S)-4-[(Z)-3-fluoro-4-hydroxybut-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59883079
(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
2-fluoro-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]prop-2-en-1-ol
CID 91326431
tert-butyl (4S)-4-(3-fluoro-4-hydroxybut-2-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91358930

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol?
The IUPAC name of 2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol (CID 91550591) is 2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol.
What is the SMILES notation for 2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol?
The canonical SMILES for 2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol is CN1[C@@H](CC=C(F)CO)COC1(C)C.
What is the InChIKey of 2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol?
The InChIKey is DNWBECOZMUCMQB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(2)12(3)9(7-14-10)5-4-8(11)6-13/h4,9,13H,5-7H2,1-3H3/t9-/m0/s1.
What are the key properties of 2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol?
2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol has a molecular weight of 203.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]but-2-en-1-ol is sourced from PubChem (CID 91550591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).