[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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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).