(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone

C13H15F2NO — CID 116568844

IUPAC(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
SMILESNC1CCCC(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C13H15F2NO/c14-10-5-2-6-11(15)12(10)13(17)8-3-1-4-9(16)7-8/h2,5-6,8-9H,1,3-4,7,16H2
InChIKeyOPBPVAJTHRBCAQ-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.66
Rot. Bonds2

About (3-aminocyclohexyl)-(2,6-difluorophenyl)methanone

(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone (PubChem CID 116568844) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
PubChem CID116568844
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone
SMILESNC1CCCC(C(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C13H15F2NO/c14-10-5-2-6-11(15)12(10)13(17)8-3-1-4-9(16)7-8/h2,5-6,8-9H,1,3-4,7,16H2
InChIKeyOPBPVAJTHRBCAQ-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116587316
(3-aminocyclohexyl)-(5-bromo-2-fluorophenyl)methanone
CID 116568928
3-amino-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]cyclohexane-1-carboxamide
CID 119899423
(2-bromo-6-fluorophenyl)-cyclopentylmethanone
CID 114885328
3-amino-N-(2-cyano-3-fluorophenyl)cyclohexane-1-carboxamide
CID 63041812
3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclohexane-1-carboxamide
CID 119889376
(3-aminocyclohexyl)-(3-ethylphenyl)methanone
CID 116568892
3-amino-N-[1-(2-fluorophenyl)cyclopropyl]cyclohexane-1-carboxamide;hydrochloride
CID 119796466
N-[(3-aminocyclohexyl)methyl]-2,3-difluorobenzamide
CID 106123375
1-N-(2,6-difluorophenyl)cyclohexane-1,3-diamine
CID 79458634
(3-aminocyclohexyl)-(3,4-dimethylphenyl)methanone
CID 116568873
[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(2,6-difluorophenyl)methanone (CID 116568844) is (3-aminocyclohexyl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(2,6-difluorophenyl)methanone is NC1CCCC(C(=O)c2c(F)cccc2F)C1.
What is the InChIKey of (3-aminocyclohexyl)-(2,6-difluorophenyl)methanone?
The InChIKey is OPBPVAJTHRBCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-10-5-2-6-11(15)12(10)13(17)8-3-1-4-9(16)7-8/h2,5-6,8-9H,1,3-4,7,16H2.
What are the key properties of (3-aminocyclohexyl)-(2,6-difluorophenyl)methanone?
(3-aminocyclohexyl)-(2,6-difluorophenyl)methanone has a molecular weight of 239.26 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 116568844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).