[1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine

C12H14ClF2N — CID 115045654

IUPAC[1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine
SMILESNCC1(c2ccccc2Cl)CCC(F)(F)C1
InChIInChI=1S/C12H14ClF2N/c13-10-4-2-1-3-9(10)11(8-16)5-6-12(14,15)7-11/h1-4H,5-8,16H2
InChIKeyGTPZTSYFBXHWEE-UHFFFAOYSA-N
MW245.70 g/mol
LogP3.36
Rot. Bonds2

About [1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine

[1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine (PubChem CID 115045654) has the molecular formula C12H14ClF2N and a molecular weight of 245.70 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine
PubChem CID115045654
Molecular FormulaC12H14ClF2N
Molecular Weight245.70 g/mol
Exact Mass245.08
IUPAC Name[1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine
SMILESNCC1(c2ccccc2Cl)CCC(F)(F)C1
InChIInChI=1S/C12H14ClF2N/c13-10-4-2-1-3-9(10)11(8-16)5-6-12(14,15)7-11/h1-4H,5-8,16H2
InChIKeyGTPZTSYFBXHWEE-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 46736468
[3,3-difluoro-1-[2-(trifluoromethyl)phenyl]cyclopentyl]methanamine
CID 115051446
2-[1-(aminomethyl)-4,4-difluorocyclohexyl]phenol
CID 115044146
[2-(2-chlorophenyl)-7-oxaspiro[3.5]nonan-2-yl]methanamine
CID 65006500
[1-(2-chlorophenyl)-3-phenylcyclobutyl]methanamine
CID 65017325
[5-(3-chloro-2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
CID 82802471
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62596205
2-[4-(2-chlorophenyl)oxan-4-yl]ethanamine
CID 82084431
[5-(2-fluorophenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008487
[2-(2-chlorophenyl)azetidin-2-yl]methanamine
CID 115059255
1-chloro-2-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexyl]benzene
CID 71248552
2-[1-(aminomethyl)cyclopropyl]aniline
CID 82275316

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine?
The IUPAC name of [1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine (CID 115045654) is [1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine.
What is the SMILES notation for [1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine?
The canonical SMILES for [1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine is NCC1(c2ccccc2Cl)CCC(F)(F)C1.
What is the InChIKey of [1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine?
The InChIKey is GTPZTSYFBXHWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N/c13-10-4-2-1-3-9(10)11(8-16)5-6-12(14,15)7-11/h1-4H,5-8,16H2.
What are the key properties of [1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine?
[1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine has a molecular weight of 245.70 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3,3-difluorocyclopentyl]methanamine is sourced from PubChem (CID 115045654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).