(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone

C12H11ClF3NO — CID 139023381

IUPAC(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCC(F)(F)CC1
InChIInChI=1S/C12H11ClF3NO/c13-8-2-1-3-9(14)10(8)11(18)17-6-4-12(15,16)5-7-17/h1-3H,4-7H2
InChIKeyUKCHRQALLSZDOA-UHFFFAOYSA-N
MW277.67 g/mol
LogP3.35
Rot. Bonds1

About (2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone

(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 139023381) has the molecular formula C12H11ClF3NO and a molecular weight of 277.67 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID139023381
Molecular FormulaC12H11ClF3NO
Molecular Weight277.67 g/mol
Exact Mass277.05
IUPAC Name(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1c(F)cccc1Cl)N1CCC(F)(F)CC1
InChIInChI=1S/C12H11ClF3NO/c13-8-2-1-3-9(14)10(8)11(18)17-6-4-12(15,16)5-7-17/h1-3H,4-7H2
InChIKeyUKCHRQALLSZDOA-UHFFFAOYSA-N
XLogP3.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.67
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108536978
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(2,5-dichlorophenyl)methanone
CID 108536557
(4-tert-butylpiperazin-1-yl)-(2-chloro-6-fluorophenyl)methanone
CID 113074834
(2,6-difluorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707647
4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione
CID 66083390
2-amino-1-[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]ethanone;hydrochloride
CID 119307920
(3R)-8-(2-chloro-6-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97153688
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(2,6-difluorophenyl)methanone
CID 131703355
1-(2-chloro-6-fluorobenzoyl)pyrrolidin-3-one
CID 84582258
(2-chloro-6-fluorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707486
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 108537079
(2-chloro-6-fluorophenyl)-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 113075723

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone (CID 139023381) is (2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone is O=C(c1c(F)cccc1Cl)N1CCC(F)(F)CC1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is UKCHRQALLSZDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3NO/c13-8-2-1-3-9(14)10(8)11(18)17-6-4-12(15,16)5-7-17/h1-3H,4-7H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone?
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 277.67 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 139023381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).