(Z)-1,1,1-trifluorohept-4-en-2-amine

C7H12F3N — CID 55283427

IUPAC(Z)-1,1,1-trifluorohept-4-en-2-amine
SMILESCC/C=C\CC(N)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-2-3-4-5-6(11)7(8,9)10/h3-4,6H,2,5,11H2,1H3/b4-3-
InChIKeyNZKLRBVIVPEMKO-ARJAWSKDSA-N
MW167.17 g/mol
LogP2.23
Rot. Bonds3

About (Z)-1,1,1-trifluorohept-4-en-2-amine

(Z)-1,1,1-trifluorohept-4-en-2-amine (PubChem CID 55283427) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (Z)-1,1,1-trifluorohept-4-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluorohept-4-en-2-amine
PubChem CID55283427
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(Z)-1,1,1-trifluorohept-4-en-2-amine
SMILESCC/C=C\CC(N)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-2-3-4-5-6(11)7(8,9)10/h3-4,6H,2,5,11H2,1H3/b4-3-
InChIKeyNZKLRBVIVPEMKO-ARJAWSKDSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.23
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)-1,1,1-trifluorohept-4-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluorohept-4-en-2-amine (CID 55283427) is (Z)-1,1,1-trifluorohept-4-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluorohept-4-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluorohept-4-en-2-amine is CC/C=C\CC(N)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluorohept-4-en-2-amine?
The InChIKey is NZKLRBVIVPEMKO-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H12F3N/c1-2-3-4-5-6(11)7(8,9)10/h3-4,6H,2,5,11H2,1H3/b4-3-.
What are the key properties of (Z)-1,1,1-trifluorohept-4-en-2-amine?
(Z)-1,1,1-trifluorohept-4-en-2-amine has a molecular weight of 167.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluorohept-4-en-2-amine is sourced from PubChem (CID 55283427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).