(Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine

C8H14F3N — CID 121451108

IUPAC(Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
SMILESC/C(=C/CCC(C)N)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6(8(9,10)11)4-3-5-7(2)12/h4,7H,3,5,12H2,1-2H3/b6-4-
InChIKeyLARXZFGHXPOUAZ-XQRVVYSFSA-N
MW181.20 g/mol
LogP2.62
Rot. Bonds3

About (Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine

(Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine (PubChem CID 121451108) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is (Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine.

Molecular Properties

Compound Name(Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
PubChem CID121451108
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name(Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
SMILESC/C(=C/CCC(C)N)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6(8(9,10)11)4-3-5-7(2)12/h4,7H,3,5,12H2,1-2H3/b6-4-
InChIKeyLARXZFGHXPOUAZ-XQRVVYSFSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine?
The IUPAC name of (Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine (CID 121451108) is (Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine.
What is the SMILES notation for (Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine?
The canonical SMILES for (Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine is C/C(=C/CCC(C)N)C(F)(F)F.
What is the InChIKey of (Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine?
The InChIKey is LARXZFGHXPOUAZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(8(9,10)11)4-3-5-7(2)12/h4,7H,3,5,12H2,1-2H3/b6-4-.
What are the key properties of (Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine?
(Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine has a molecular weight of 181.20 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7,7,7-trifluoro-6-methylhept-5-en-2-amine is sourced from PubChem (CID 121451108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).