(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C9H15FNO3- — CID 86705177

IUPAC(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC[C@H](F)[C@H]1COC(C)(C)N1C(=O)[O-]
InChIInChI=1S/C9H16FNO3/c1-4-6(10)7-5-14-9(2,3)11(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)/p-1/t6-,7+/m0/s1
InChIKeyPXLLZMASLPRRAS-NKWVEPMBSA-M
MW204.22 g/mol
LogP0.51
Rot. Bonds2

About (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 86705177) has the molecular formula C9H15FNO3- and a molecular weight of 204.22 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID86705177
Molecular FormulaC9H15FNO3-
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC[C@H](F)[C@H]1COC(C)(C)N1C(=O)[O-]
InChIInChI=1S/C9H16FNO3/c1-4-6(10)7-5-14-9(2,3)11(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)/p-1/t6-,7+/m0/s1
InChIKeyPXLLZMASLPRRAS-NKWVEPMBSA-M
XLogP0.51
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (4S)-4-(3,3-difluorobutyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11594503
Tert-butyl 3-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001211
Tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001212
tert-butyl (2S)-2-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 66592318
(4R)-4-(2-fluoropropan-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 67157470
tert-butyl (4R)-4-(1-fluoro-1-methylethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67157475
3-Ethyl-4-(2-fluoroethyl)-1,3-oxazolidin-2-one
CID 67254228
4-(2-Fluoroethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67256720
tert-butyl (2S)-2-(1,1-difluoropropoxymethyl)pyrrolidine-1-carboxylate
CID 70803116
tert-butyl (2R,4S)-4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 70846015
(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 86705178
tert-butyl (4S)-4-(3-fluoropropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 86705185

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 86705177) is (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC[C@H](F)[C@H]1COC(C)(C)N1C(=O)[O-].
What is the InChIKey of (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is PXLLZMASLPRRAS-NKWVEPMBSA-M. The full InChI is InChI=1S/C9H16FNO3/c1-4-6(10)7-5-14-9(2,3)11(7)8(12)13/h6-7H,4-5H2,1-3H3,(H,12,13)/p-1/t6-,7+/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
(4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 204.22 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-fluoropropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 86705177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).