1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine

C13H13F6N — CID 83412159

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESNC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H13F6N/c14-12(15,16)9-5-8(11(20)3-1-2-4-11)6-10(7-9)13(17,18)19/h5-7H,1-4,20H2
InChIKeyVNOKIGLGRHXFEP-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.45
Rot. Bonds1

About 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine

1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine (PubChem CID 83412159) has the molecular formula C13H13F6N and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine
PubChem CID83412159
Molecular FormulaC13H13F6N
Molecular Weight297.24 g/mol
Exact Mass297.10
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine
SMILESNC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H13F6N/c14-12(15,16)9-5-8(11(20)3-1-2-4-11)6-10(7-9)13(17,18)19/h5-7H,1-4,20H2
InChIKeyVNOKIGLGRHXFEP-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine (CID 83412159) is 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine is NC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine?
The InChIKey is VNOKIGLGRHXFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6N/c14-12(15,16)9-5-8(11(20)3-1-2-4-11)6-10(7-9)13(17,18)19/h5-7H,1-4,20H2.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine?
1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 83412159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).