(2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone

C12H13ClFNO2 — CID 110740647

IUPAC(2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
SMILESCC1(C)COCN1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO2/c1-12(2)6-17-7-15(12)11(16)10-8(13)4-3-5-9(10)14/h3-5H,6-7H2,1-2H3
InChIKeyIQLKSWGZZKVGAF-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.69
Rot. Bonds1

About (2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone

(2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone (PubChem CID 110740647) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
PubChem CID110740647
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Name(2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
SMILESCC1(C)COCN1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO2/c1-12(2)6-17-7-15(12)11(16)10-8(13)4-3-5-9(10)14/h3-5H,6-7H2,1-2H3
InChIKeyIQLKSWGZZKVGAF-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione
CID 66083390
(2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone
CID 130512079
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 108544564
(2-chloro-6-fluorophenyl)-(2-methylmorpholin-4-yl)methanone
CID 52985815
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 113074834
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978
(2-chloro-6-fluorophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110738791
(2-chloro-6-fluorophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 113075723
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403
1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one
CID 84582258

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone (CID 110740647) is (2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone is CC1(C)COCN1C(=O)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
The InChIKey is IQLKSWGZZKVGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c1-12(2)6-17-7-15(12)11(16)10-8(13)4-3-5-9(10)14/h3-5H,6-7H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone?
(2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone has a molecular weight of 257.69 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone is sourced from PubChem (CID 110740647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).