(E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine

C10H12FN — CID 117276329

IUPAC(E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1ccccc1CF
InChIInChI=1S/C10H12FN/c11-8-10-5-2-1-4-9(10)6-3-7-12/h1-6H,7-8,12H2/b6-3+
InChIKeyQYWQJAPIQNHQET-ZZXKWVIFSA-N
MW165.21 g/mol
LogP2.13
Rot. Bonds3

About (E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine

(E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 117276329) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is (E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID117276329
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name(E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine
SMILESNC/C=C/c1ccccc1CF
InChIInChI=1S/C10H12FN/c11-8-10-5-2-1-4-9(10)6-3-7-12/h1-6H,7-8,12H2/b6-3+
InChIKeyQYWQJAPIQNHQET-ZZXKWVIFSA-N
XLogP2.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine (CID 117276329) is (E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine is NC/C=C/c1ccccc1CF.
What is the InChIKey of (E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is QYWQJAPIQNHQET-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H12FN/c11-8-10-5-2-1-4-9(10)6-3-7-12/h1-6H,7-8,12H2/b6-3+.
What are the key properties of (E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine?
(E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 165.21 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(fluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117276329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).