4-[2-(fluoromethyl)cyclopentyl]aniline

C12H16FN — CID 115019500

IUPAC4-[2-(fluoromethyl)cyclopentyl]aniline
SMILESNc1ccc(C2CCCC2CF)cc1
InChIInChI=1S/C12H16FN/c13-8-10-2-1-3-12(10)9-4-6-11(14)7-5-9/h4-7,10,12H,1-3,8,14H2
InChIKeyVFCYGYYLVRDFMB-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.12
Rot. Bonds2

About 4-[2-(fluoromethyl)cyclopentyl]aniline

4-[2-(fluoromethyl)cyclopentyl]aniline (PubChem CID 115019500) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is 4-[2-(fluoromethyl)cyclopentyl]aniline.

Molecular Properties

Compound Name4-[2-(fluoromethyl)cyclopentyl]aniline
PubChem CID115019500
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Name4-[2-(fluoromethyl)cyclopentyl]aniline
SMILESNc1ccc(C2CCCC2CF)cc1
InChIInChI=1S/C12H16FN/c13-8-10-2-1-3-12(10)9-4-6-11(14)7-5-9/h4-7,10,12H,1-3,8,14H2
InChIKeyVFCYGYYLVRDFMB-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(fluoromethyl)cyclobutyl]benzaldehyde
CID 115019010
[2-(4-cyclobutylphenyl)cycloheptyl]methanamine
CID 116507071
[2-(4-cyclopropyloxyphenyl)cycloheptyl]methanamine
CID 114520460
4-(2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-5-yl)aniline
CID 174525005
(1R)-2-(4-fluorophenyl)cyclopentan-1-amine
CID 70223067
[2-(4-propylphenyl)cyclopentyl]methanamine
CID 81010562
2-(4-aminophenyl)cyclopropan-1-ol
CID 115011767
2-(2-aminocyclopentyl)-5-fluoroaniline
CID 130046042
4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]aniline
CID 71669152
[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
CID 81010012
N-[[2-(4-cyclobutylphenyl)cyclopentyl]methyl]cyclopropanamine
CID 116507104
2-(4-ethylphenyl)cyclopentan-1-amine
CID 62605664

Frequently Asked Questions

What is the IUPAC name of 4-[2-(fluoromethyl)cyclopentyl]aniline?
The IUPAC name of 4-[2-(fluoromethyl)cyclopentyl]aniline (CID 115019500) is 4-[2-(fluoromethyl)cyclopentyl]aniline.
What is the SMILES notation for 4-[2-(fluoromethyl)cyclopentyl]aniline?
The canonical SMILES for 4-[2-(fluoromethyl)cyclopentyl]aniline is Nc1ccc(C2CCCC2CF)cc1.
What is the InChIKey of 4-[2-(fluoromethyl)cyclopentyl]aniline?
The InChIKey is VFCYGYYLVRDFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c13-8-10-2-1-3-12(10)9-4-6-11(14)7-5-9/h4-7,10,12H,1-3,8,14H2.
What are the key properties of 4-[2-(fluoromethyl)cyclopentyl]aniline?
4-[2-(fluoromethyl)cyclopentyl]aniline has a molecular weight of 193.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(fluoromethyl)cyclopentyl]aniline is sourced from PubChem (CID 115019500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).