[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine

C13H13F6N — CID 62708708

IUPAC[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine
SMILESCC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1CN
InChIInChI=1S/C13H13F6N/c1-11(5-10(11)6-20)7-2-8(12(14,15)16)4-9(3-7)13(17,18)19/h2-4,10H,5-6,20H2,1H3
InChIKeyHUXJZPLXJPEPFE-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.96
Rot. Bonds2

About [2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine

[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine (PubChem CID 62708708) has the molecular formula C13H13F6N and a molecular weight of 297.24 g/mol. Its IUPAC name is [2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine.

Molecular Properties

Compound Name[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine
PubChem CID62708708
Molecular FormulaC13H13F6N
Molecular Weight297.24 g/mol
Exact Mass297.10
IUPAC Name[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine
SMILESCC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1CN
InChIInChI=1S/C13H13F6N/c1-11(5-10(11)6-20)7-2-8(12(14,15)16)4-9(3-7)13(17,18)19/h2-4,10H,5-6,20H2,1H3
InChIKeyHUXJZPLXJPEPFE-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine?
The IUPAC name of [2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine (CID 62708708) is [2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine.
What is the SMILES notation for [2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine?
The canonical SMILES for [2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine is CC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1CN.
What is the InChIKey of [2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine?
The InChIKey is HUXJZPLXJPEPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6N/c1-11(5-10(11)6-20)7-2-8(12(14,15)16)4-9(3-7)13(17,18)19/h2-4,10H,5-6,20H2,1H3.
What are the key properties of [2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine?
[2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine has a molecular weight of 297.24 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3,5-bis(trifluoromethyl)phenyl]-2-methylcyclopropyl]methanamine is sourced from PubChem (CID 62708708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).