1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone

C14H17F2NO — CID 116550631

IUPAC1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone
SMILESNC1(C(=O)Cc2cccc(F)c2F)CCCCC1
InChIInChI=1S/C14H17F2NO/c15-11-6-4-5-10(13(11)16)9-12(18)14(17)7-2-1-3-8-14/h4-6H,1-3,7-9,17H2
InChIKeyREXAORVYEVCRSE-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.74
Rot. Bonds3

About 1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone

1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone (PubChem CID 116550631) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone
PubChem CID116550631
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone
SMILESNC1(C(=O)Cc2cccc(F)c2F)CCCCC1
InChIInChI=1S/C14H17F2NO/c15-11-6-4-5-10(13(11)16)9-12(18)14(17)7-2-1-3-8-14/h4-6H,1-3,7-9,17H2
InChIKeyREXAORVYEVCRSE-UHFFFAOYSA-N
XLogP2.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclohexyl]-3-(2,3-difluorophenyl)propan-2-one
CID 116614499
1-[[2-(2,3-difluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538773
(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone
CID 116558705
1-(1-aminocyclopentyl)-2-(3-fluorophenyl)ethanone
CID 116558669
1-(1-aminocyclobutyl)-2-(2,4-difluorophenyl)ethanone
CID 116598534
1-(1-aminocyclopentyl)-2-(3-bromo-2,6-difluorophenyl)ethanone
CID 106272523
1-(1-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116550553
1-(1-aminocyclopropyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 116576500
(2-fluorophenyl)methyl 1-aminocyclopentane-1-carboxylate
CID 63932845
1-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone;hydrochloride
CID 102553352
1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865265
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone?
The IUPAC name of 1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone (CID 116550631) is 1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone is NC1(C(=O)Cc2cccc(F)c2F)CCCCC1.
What is the InChIKey of 1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone?
The InChIKey is REXAORVYEVCRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-11-6-4-5-10(13(11)16)9-12(18)14(17)7-2-1-3-8-14/h4-6H,1-3,7-9,17H2.
What are the key properties of 1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone?
1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone has a molecular weight of 253.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 116550631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).