(4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine

C10H16F3N — CID 89153967

IUPAC(4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine
SMILESC=C(C)C(C)[C@@H](N)/C=C\CC(F)(F)F
InChIInChI=1S/C10H16F3N/c1-7(2)8(3)9(14)5-4-6-10(11,12)13/h4-5,8-9H,1,6,14H2,2-3H3/b5-4-/t8?,9-/m0/s1
InChIKeyVRHRZUYOCXUMCZ-AOVULCPKSA-N
MW207.24 g/mol
LogP3.03
Rot. Bonds4

About (4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine

(4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine (PubChem CID 89153967) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine.

Molecular Properties

Compound Name(4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine
PubChem CID89153967
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine
SMILESC=C(C)C(C)[C@@H](N)/C=C\CC(F)(F)F
InChIInChI=1S/C10H16F3N/c1-7(2)8(3)9(14)5-4-6-10(11,12)13/h4-5,8-9H,1,6,14H2,2-3H3/b5-4-/t8?,9-/m0/s1
InChIKeyVRHRZUYOCXUMCZ-AOVULCPKSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.03
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 (4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine?
The IUPAC name of (4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine (CID 89153967) is (4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine.
What is the SMILES notation for (4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine?
The canonical SMILES for (4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine is C=C(C)C(C)[C@@H](N)/C=C\CC(F)(F)F.
What is the InChIKey of (4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine?
The InChIKey is VRHRZUYOCXUMCZ-AOVULCPKSA-N. The full InChI is InChI=1S/C10H16F3N/c1-7(2)8(3)9(14)5-4-6-10(11,12)13/h4-5,8-9H,1,6,14H2,2-3H3/b5-4-/t8?,9-/m0/s1.
What are the key properties of (4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine?
(4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine has a molecular weight of 207.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5Z)-8,8,8-trifluoro-2,3-dimethylocta-1,5-dien-4-amine is sourced from PubChem (CID 89153967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).