3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine

C10H9F4N — CID 169463995

IUPAC3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESNCC=Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H9F4N/c11-9-6-8(10(12,13)14)4-3-7(9)2-1-5-15/h1-4,6H,5,15H2
InChIKeyNMGHQYJETXVAJF-UHFFFAOYSA-N
MW219.18 g/mol
LogP2.82
Rot. Bonds2

About 3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine

3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 169463995) has the molecular formula C10H9F4N and a molecular weight of 219.18 g/mol. Its IUPAC name is 3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID169463995
Molecular FormulaC10H9F4N
Molecular Weight219.18 g/mol
Exact Mass219.07
IUPAC Name3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESNCC=Cc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H9F4N/c11-9-6-8(10(12,13)14)4-3-7(9)2-1-5-15/h1-4,6H,5,15H2
InChIKeyNMGHQYJETXVAJF-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 169463995) is 3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for 3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for 3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine is NCC=Cc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is NMGHQYJETXVAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N/c11-9-6-8(10(12,13)14)4-3-7(9)2-1-5-15/h1-4,6H,5,15H2.
What are the key properties of 3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 219.18 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 169463995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).