(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine

C8H12F3N — CID 130242942

IUPAC(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine
SMILESC=C(C)/C=C\C(NC)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-6(2)4-5-7(12-3)8(9,10)11/h4-5,7,12H,1H2,2-3H3/b5-4-
InChIKeyYXNZGMNSEMLSIX-PLNGDYQASA-N
MW179.18 g/mol
LogP2.27
Rot. Bonds3

About (3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine

(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine (PubChem CID 130242942) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is (3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine
PubChem CID130242942
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine
SMILESC=C(C)/C=C\C(NC)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-6(2)4-5-7(12-3)8(9,10)11/h4-5,7,12H,1H2,2-3H3/b5-4-
InChIKeyYXNZGMNSEMLSIX-PLNGDYQASA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.27
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)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine?
The IUPAC name of (3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine (CID 130242942) is (3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine.
What is the SMILES notation for (3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine?
The canonical SMILES for (3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine is C=C(C)/C=C\C(NC)C(F)(F)F.
What is the InChIKey of (3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine?
The InChIKey is YXNZGMNSEMLSIX-PLNGDYQASA-N. The full InChI is InChI=1S/C8H12F3N/c1-6(2)4-5-7(12-3)8(9,10)11/h4-5,7,12H,1H2,2-3H3/b5-4-.
What are the key properties of (3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine?
(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine has a molecular weight of 179.18 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-amine is sourced from PubChem (CID 130242942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).