(4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone

C12H14FNO2 — CID 110740612

IUPAC(4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone
SMILESCC1(C)COCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C12H14FNO2/c1-12(2)7-16-8-14(12)11(15)9-4-3-5-10(13)6-9/h3-6H,7-8H2,1-2H3
InChIKeyGIXNQCBMYXSSBR-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.03
Rot. Bonds1

About (4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone

(4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone (PubChem CID 110740612) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone
PubChem CID110740612
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone
SMILESCC1(C)COCN1C(=O)c1cccc(F)c1
InChIInChI=1S/C12H14FNO2/c1-12(2)7-16-8-14(12)11(15)9-4-3-5-10(13)6-9/h3-6H,7-8H2,1-2H3
InChIKeyGIXNQCBMYXSSBR-UHFFFAOYSA-N
XLogP2.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
CID 110740647
(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327516
(4,4-dimethyl-1,3-oxazolidin-3-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110746693
(4-tert-butylphenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
CID 110740624
5-(4,4-dimethyl-1,3-oxazolidine-3-carbonyl)-N,N,2-trimethylbenzenesulfonamide
CID 110740641
[(3R,5R)-3,5-dimethylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 178076386
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
CID 110353024
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 110327513
(3-fluorophenyl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97412413
1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluorophenyl)propan-1-one
CID 110421813

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone (CID 110740612) is (4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone is CC1(C)COCN1C(=O)c1cccc(F)c1.
What is the InChIKey of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone?
The InChIKey is GIXNQCBMYXSSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-12(2)7-16-8-14(12)11(15)9-4-3-5-10(13)6-9/h3-6H,7-8H2,1-2H3.
What are the key properties of (4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone?
(4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone has a molecular weight of 223.25 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1,3-oxazolidin-3-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 110740612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).