(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine

C10H9BrF3N — CID 131981491

IUPAC(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine
SMILESC/C=C(\N)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H9BrF3N/c1-2-9(15)6-3-4-8(11)7(5-6)10(12,13)14/h2-5H,15H2,1H3/b9-2-
InChIKeyKVFHYVHRVKFPNW-MBXJOHMKSA-N
MW280.09 g/mol
LogP3.79
Rot. Bonds1

About (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine

(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine (PubChem CID 131981491) has the molecular formula C10H9BrF3N and a molecular weight of 280.09 g/mol. Its IUPAC name is (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine
PubChem CID131981491
Molecular FormulaC10H9BrF3N
Molecular Weight280.09 g/mol
Exact Mass278.99
IUPAC Name(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine
SMILESC/C=C(\N)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C10H9BrF3N/c1-2-9(15)6-3-4-8(11)7(5-6)10(12,13)14/h2-5H,15H2,1H3/b9-2-
InChIKeyKVFHYVHRVKFPNW-MBXJOHMKSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine?
The IUPAC name of (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine (CID 131981491) is (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine.
What is the SMILES notation for (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine?
The canonical SMILES for (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine is C/C=C(\N)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine?
The InChIKey is KVFHYVHRVKFPNW-MBXJOHMKSA-N. The full InChI is InChI=1S/C10H9BrF3N/c1-2-9(15)6-3-4-8(11)7(5-6)10(12,13)14/h2-5H,15H2,1H3/b9-2-.
What are the key properties of (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine?
(Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine has a molecular weight of 280.09 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-bromo-3-(trifluoromethyl)phenyl]prop-1-en-1-amine is sourced from PubChem (CID 131981491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).