(3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine

C9H13ClF3N — CID 88988239

IUPAC(3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine
SMILESCC/C(N)=C(Cl)\C(C)=C/CC(F)(F)F
InChIInChI=1S/C9H13ClF3N/c1-3-7(14)8(10)6(2)4-5-9(11,12)13/h4H,3,5,14H2,1-2H3/b6-4-,8-7-
InChIKeyOXURRNQEFVHPDI-MOIRPGTBSA-N
MW227.66 g/mol
LogP3.70
Rot. Bonds3

About (3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine

(3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine (PubChem CID 88988239) has the molecular formula C9H13ClF3N and a molecular weight of 227.66 g/mol. Its IUPAC name is (3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine
PubChem CID88988239
Molecular FormulaC9H13ClF3N
Molecular Weight227.66 g/mol
Exact Mass227.07
IUPAC Name(3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine
SMILESCC/C(N)=C(Cl)\C(C)=C/CC(F)(F)F
InChIInChI=1S/C9H13ClF3N/c1-3-7(14)8(10)6(2)4-5-9(11,12)13/h4H,3,5,14H2,1-2H3/b6-4-,8-7-
InChIKeyOXURRNQEFVHPDI-MOIRPGTBSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.66
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine?
The IUPAC name of (3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine (CID 88988239) is (3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine.
What is the SMILES notation for (3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine?
The canonical SMILES for (3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine is CC/C(N)=C(Cl)\C(C)=C/CC(F)(F)F.
What is the InChIKey of (3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine?
The InChIKey is OXURRNQEFVHPDI-MOIRPGTBSA-N. The full InChI is InChI=1S/C9H13ClF3N/c1-3-7(14)8(10)6(2)4-5-9(11,12)13/h4H,3,5,14H2,1-2H3/b6-4-,8-7-.
What are the key properties of (3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine?
(3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine has a molecular weight of 227.66 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-chloro-8,8,8-trifluoro-5-methylocta-3,5-dien-3-amine is sourced from PubChem (CID 88988239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).