N-(cyclopentylmethyl)-3,4-difluoroaniline

C12H15F2N — CID 61344637

IUPACN-(cyclopentylmethyl)-3,4-difluoroaniline
SMILESFc1ccc(NCC2CCCC2)cc1F
InChIInChI=1S/C12H15F2N/c13-11-6-5-10(7-12(11)14)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2
InChIKeyVNDFCLJKJLDQKX-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.57
Rot. Bonds3

About N-(cyclopentylmethyl)-3,4-difluoroaniline

N-(cyclopentylmethyl)-3,4-difluoroaniline (PubChem CID 61344637) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3,4-difluoroaniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3,4-difluoroaniline
PubChem CID61344637
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC NameN-(cyclopentylmethyl)-3,4-difluoroaniline
SMILESFc1ccc(NCC2CCCC2)cc1F
InChIInChI=1S/C12H15F2N/c13-11-6-5-10(7-12(11)14)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2
InChIKeyVNDFCLJKJLDQKX-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3,4-difluoroaniline?
The IUPAC name of N-(cyclopentylmethyl)-3,4-difluoroaniline (CID 61344637) is N-(cyclopentylmethyl)-3,4-difluoroaniline.
What is the SMILES notation for N-(cyclopentylmethyl)-3,4-difluoroaniline?
The canonical SMILES for N-(cyclopentylmethyl)-3,4-difluoroaniline is Fc1ccc(NCC2CCCC2)cc1F.
What is the InChIKey of N-(cyclopentylmethyl)-3,4-difluoroaniline?
The InChIKey is VNDFCLJKJLDQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-11-6-5-10(7-12(11)14)15-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8H2.
What are the key properties of N-(cyclopentylmethyl)-3,4-difluoroaniline?
N-(cyclopentylmethyl)-3,4-difluoroaniline has a molecular weight of 211.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3,4-difluoroaniline is sourced from PubChem (CID 61344637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).