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

C9H16F3N — CID 121451142

IUPAC(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
SMILESCNC(C)CC/C=C(/C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-7(9(10,11)12)5-4-6-8(2)13-3/h5,8,13H,4,6H2,1-3H3/b7-5-
InChIKeySBEPLFOHPKOUPO-ALCCZGGFSA-N
MW195.23 g/mol
LogP2.88
Rot. Bonds4

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

(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine (PubChem CID 121451142) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is (Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine.

Molecular Properties

Compound Name(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
PubChem CID121451142
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
SMILESCNC(C)CC/C=C(/C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-7(9(10,11)12)5-4-6-8(2)13-3/h5,8,13H,4,6H2,1-3H3/b7-5-
InChIKeySBEPLFOHPKOUPO-ALCCZGGFSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine?
The IUPAC name of (Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine (CID 121451142) is (Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine.
What is the SMILES notation for (Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine?
The canonical SMILES for (Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine is CNC(C)CC/C=C(/C)C(F)(F)F.
What is the InChIKey of (Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine?
The InChIKey is SBEPLFOHPKOUPO-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7(9(10,11)12)5-4-6-8(2)13-3/h5,8,13H,4,6H2,1-3H3/b7-5-.
What are the key properties of (Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine?
(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 4 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-N,6-dimethylhept-5-en-2-amine is sourced from PubChem (CID 121451142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).