(4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one

C8H14FNO2 — CID 170538332

IUPAC(4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)OC[C@@H]1[C@H](C)F
InChIInChI=1S/C8H14FNO2/c1-5(2)10-7(6(3)9)4-12-8(10)11/h5-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKeyOAILGMYAHLHDCA-NKWVEPMBSA-N
MW175.20 g/mol
LogP1.57
Rot. Bonds2

About (4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one

(4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 170538332) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is (4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID170538332
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name(4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)N1C(=O)OC[C@@H]1[C@H](C)F
InChIInChI=1S/C8H14FNO2/c1-5(2)10-7(6(3)9)4-12-8(10)11/h5-7H,4H2,1-3H3/t6-,7+/m0/s1
InChIKeyOAILGMYAHLHDCA-NKWVEPMBSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one (CID 170538332) is (4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one is CC(C)N1C(=O)OC[C@@H]1[C@H](C)F.
What is the InChIKey of (4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OAILGMYAHLHDCA-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-5(2)10-7(6(3)9)4-12-8(10)11/h5-7H,4H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 175.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-1-fluoroethyl]-3-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 170538332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).