1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine

C12H13ClF3N — CID 117413992

IUPAC1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESNC1(c2c(Cl)cccc2C(F)(F)F)CCCC1
InChIInChI=1S/C12H13ClF3N/c13-9-5-3-4-8(12(14,15)16)10(9)11(17)6-1-2-7-11/h3-5H,1-2,6-7,17H2
InChIKeyQMMCHNMLZKBZMK-UHFFFAOYSA-N
MW263.69 g/mol
LogP4.09
Rot. Bonds1

About 1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine

1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine (PubChem CID 117413992) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine
PubChem CID117413992
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESNC1(c2c(Cl)cccc2C(F)(F)F)CCCC1
InChIInChI=1S/C12H13ClF3N/c13-9-5-3-4-8(12(14,15)16)10(9)11(17)6-1-2-7-11/h3-5H,1-2,6-7,17H2
InChIKeyQMMCHNMLZKBZMK-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine (CID 117413992) is 1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine is NC1(c2c(Cl)cccc2C(F)(F)F)CCCC1.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine?
The InChIKey is QMMCHNMLZKBZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N/c13-9-5-3-4-8(12(14,15)16)10(9)11(17)6-1-2-7-11/h3-5H,1-2,6-7,17H2.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine?
1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine has a molecular weight of 263.69 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117413992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).