1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine

C11H11F6N — CID 79020849

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F6N/c1-6(18)2-7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h3-6H,2,18H2,1H3
InChIKeyUZAQOYJVAFCEEC-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.61
Rot. Bonds2

About 1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine

1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 79020849) has the molecular formula C11H11F6N and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine
PubChem CID79020849
Molecular FormulaC11H11F6N
Molecular Weight271.20 g/mol
Exact Mass271.08
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F6N/c1-6(18)2-7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h3-6H,2,18H2,1H3
InChIKeyUZAQOYJVAFCEEC-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.61
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]propan-2-amine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine (CID 79020849) is 1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine is CC(N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is UZAQOYJVAFCEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N/c1-6(18)2-7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h3-6H,2,18H2,1H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine?
1-[3,5-bis(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 271.20 g/mol, XLogP of 3.61, 2 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]propan-2-amine is sourced from PubChem (CID 79020849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).