N-(3,3-difluorocyclopentyl)aniline

C11H13F2N — CID 170406665

IUPACN-(3,3-difluorocyclopentyl)aniline
SMILESFC1(F)CCC(Nc2ccccc2)C1
InChIInChI=1S/C11H13F2N/c12-11(13)7-6-10(8-11)14-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2
InChIKeyHGRSFLIZKVDMPB-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.29
Rot. Bonds2

About N-(3,3-difluorocyclopentyl)aniline

N-(3,3-difluorocyclopentyl)aniline (PubChem CID 170406665) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is N-(3,3-difluorocyclopentyl)aniline.

Molecular Properties

Compound NameN-(3,3-difluorocyclopentyl)aniline
PubChem CID170406665
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC NameN-(3,3-difluorocyclopentyl)aniline
SMILESFC1(F)CCC(Nc2ccccc2)C1
InChIInChI=1S/C11H13F2N/c12-11(13)7-6-10(8-11)14-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2
InChIKeyHGRSFLIZKVDMPB-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclopentyl)aniline?
The IUPAC name of N-(3,3-difluorocyclopentyl)aniline (CID 170406665) is N-(3,3-difluorocyclopentyl)aniline.
What is the SMILES notation for N-(3,3-difluorocyclopentyl)aniline?
The canonical SMILES for N-(3,3-difluorocyclopentyl)aniline is FC1(F)CCC(Nc2ccccc2)C1.
What is the InChIKey of N-(3,3-difluorocyclopentyl)aniline?
The InChIKey is HGRSFLIZKVDMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c12-11(13)7-6-10(8-11)14-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2.
What are the key properties of N-(3,3-difluorocyclopentyl)aniline?
N-(3,3-difluorocyclopentyl)aniline has a molecular weight of 197.23 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclopentyl)aniline is sourced from PubChem (CID 170406665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).