2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine

C10H11F4N — CID 59366910

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F4N/c1-9(2,15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,15H2,1-2H3
InChIKeyMDNXBDTVWFHVAC-UHFFFAOYSA-N
MW221.20 g/mol
LogP3.04
Rot. Bonds1

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine

2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 59366910) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID59366910
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H11F4N/c1-9(2,15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,15H2,1-2H3
InChIKeyMDNXBDTVWFHVAC-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine (CID 59366910) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine is CC(C)(N)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is MDNXBDTVWFHVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c1-9(2,15)6-3-4-8(11)7(5-6)10(12,13)14/h3-5H,15H2,1-2H3.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine?
2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 221.20 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 59366910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).