(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone

C12H13F2NO — CID 116558705

IUPAC(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone
SMILESNC1(C(=O)c2cccc(F)c2F)CCCC1
InChIInChI=1S/C12H13F2NO/c13-9-5-3-4-8(10(9)14)11(16)12(15)6-1-2-7-12/h3-5H,1-2,6-7,15H2
InChIKeyTWTVTYXIULHBOW-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.42
Rot. Bonds2

About (1-aminocyclopentyl)-(2,3-difluorophenyl)methanone

(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone (PubChem CID 116558705) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(2,3-difluorophenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone
PubChem CID116558705
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone
SMILESNC1(C(=O)c2cccc(F)c2F)CCCC1
InChIInChI=1S/C12H13F2NO/c13-9-5-3-4-8(10(9)14)11(16)12(15)6-1-2-7-12/h3-5H,1-2,6-7,15H2
InChIKeyTWTVTYXIULHBOW-UHFFFAOYSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-1-(2,3-difluorophenyl)ethanone
CID 116578623
(2,3-difluorophenyl)-(1-phenylcyclopentyl)methanone
CID 63990466
1-(1-aminocyclohexyl)-2-(2,3-difluorophenyl)ethanone
CID 116550631
(2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone
CID 80684654
(1-aminocyclopentyl)-(2-bromophenyl)methanone
CID 82305027
(1-aminocyclopentyl)-(3-fluorophenyl)methanone
CID 82283406
(1-aminocyclohexyl)-quinolin-5-ylmethanone
CID 116550567
(1-aminocyclopropyl)-(2-hydroxyphenyl)methanone
CID 105436807
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
(1-aminocyclohexyl)-(2,5-dichlorophenyl)methanone
CID 116550512
(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
CID 116558686
2,3-difluorobenzoyl bromide
CID 91168195

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(2,3-difluorophenyl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(2,3-difluorophenyl)methanone (CID 116558705) is (1-aminocyclopentyl)-(2,3-difluorophenyl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(2,3-difluorophenyl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(2,3-difluorophenyl)methanone is NC1(C(=O)c2cccc(F)c2F)CCCC1.
What is the InChIKey of (1-aminocyclopentyl)-(2,3-difluorophenyl)methanone?
The InChIKey is TWTVTYXIULHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-9-5-3-4-8(10(9)14)11(16)12(15)6-1-2-7-12/h3-5H,1-2,6-7,15H2.
What are the key properties of (1-aminocyclopentyl)-(2,3-difluorophenyl)methanone?
(1-aminocyclopentyl)-(2,3-difluorophenyl)methanone has a molecular weight of 225.24 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(2,3-difluorophenyl)methanone is sourced from PubChem (CID 116558705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).