2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine

C13H15F4N — CID 107290018

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4N/c1-18-12-4-2-3-9(12)8-5-6-10(11(14)7-8)13(15,16)17/h5-7,9,12,18H,2-4H2,1H3
InChIKeyKMGSSYLPFGSUAX-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.70
Rot. Bonds2

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine

2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine (PubChem CID 107290018) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
PubChem CID107290018
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine
SMILESCNC1CCCC1c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H15F4N/c1-18-12-4-2-3-9(12)8-5-6-10(11(14)7-8)13(15,16)17/h5-7,9,12,18H,2-4H2,1H3
InChIKeyKMGSSYLPFGSUAX-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine (CID 107290018) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine is CNC1CCCC1c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine?
The InChIKey is KMGSSYLPFGSUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c1-18-12-4-2-3-9(12)8-5-6-10(11(14)7-8)13(15,16)17/h5-7,9,12,18H,2-4H2,1H3.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine?
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine has a molecular weight of 261.26 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 107290018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).