2-(3-fluoroanilino)cyclopentane-1-carbaldehyde

C12H14FNO — CID 89309233

IUPAC2-(3-fluoroanilino)cyclopentane-1-carbaldehyde
SMILESO=CC1CCCC1Nc1cccc(F)c1
InChIInChI=1S/C12H14FNO/c13-10-4-2-5-11(7-10)14-12-6-1-3-9(12)8-15/h2,4-5,7-9,12,14H,1,3,6H2
InChIKeyFEVYONMOMCDHMP-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.61
Rot. Bonds3

About 2-(3-fluoroanilino)cyclopentane-1-carbaldehyde

2-(3-fluoroanilino)cyclopentane-1-carbaldehyde (PubChem CID 89309233) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-(3-fluoroanilino)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name2-(3-fluoroanilino)cyclopentane-1-carbaldehyde
PubChem CID89309233
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name2-(3-fluoroanilino)cyclopentane-1-carbaldehyde
SMILESO=CC1CCCC1Nc1cccc(F)c1
InChIInChI=1S/C12H14FNO/c13-10-4-2-5-11(7-10)14-12-6-1-3-9(12)8-15/h2,4-5,7-9,12,14H,1,3,6H2
InChIKeyFEVYONMOMCDHMP-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-(3-fluoroanilino)cyclopentan-1-ol
CID 93345851
(2R,3S)-N-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 97358489
4-(3-fluoroanilino)oxolan-3-ol
CID 60896820
(4S,4aS,5S,8aR)-1-benzyl-5-(3-fluoroanilino)-4-phenyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-one
CID 175660238
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
N'-(3-fluorophenyl)cyclobutanecarbohydrazide
CID 169221984
3-fluoro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103560797
2-(cyclobutylmethylamino)-N-(3-fluorophenyl)acetamide
CID 43298672
N-(3,3-difluorocyclohexyl)-3-fluoroaniline
CID 170406630
N-[(1R)-3,3-difluorocyclohexyl]-3-fluoroaniline
CID 175966834
N-(3-fluorophenyl)thiolan-3-amine
CID 43194212
N-(2,2-dimethylcyclobutyl)-3-fluoroaniline
CID 130532973

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)cyclopentane-1-carbaldehyde?
The IUPAC name of 2-(3-fluoroanilino)cyclopentane-1-carbaldehyde (CID 89309233) is 2-(3-fluoroanilino)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 2-(3-fluoroanilino)cyclopentane-1-carbaldehyde?
The canonical SMILES for 2-(3-fluoroanilino)cyclopentane-1-carbaldehyde is O=CC1CCCC1Nc1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)cyclopentane-1-carbaldehyde?
The InChIKey is FEVYONMOMCDHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-10-4-2-5-11(7-10)14-12-6-1-3-9(12)8-15/h2,4-5,7-9,12,14H,1,3,6H2.
What are the key properties of 2-(3-fluoroanilino)cyclopentane-1-carbaldehyde?
2-(3-fluoroanilino)cyclopentane-1-carbaldehyde has a molecular weight of 207.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 89309233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).