(2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine

C11H16F3N — CID 134365692

IUPAC(2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine
SMILESC/C=C\C(C=C/C=C(\C)C(F)(F)F)NC
InChIInChI=1S/C11H16F3N/c1-4-6-10(15-3)8-5-7-9(2)11(12,13)14/h4-8,10,15H,1-3H3/b6-4-,8-5?,9-7+
InChIKeyLNYMRVLOQGRYJA-MERJQDHLSA-N
MW219.25 g/mol
LogP3.22
Rot. Bonds4

About (2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine

(2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine (PubChem CID 134365692) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine.

Molecular Properties

Compound Name(2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine
PubChem CID134365692
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine
SMILESC/C=C\C(C=C/C=C(\C)C(F)(F)F)NC
InChIInChI=1S/C11H16F3N/c1-4-6-10(15-3)8-5-7-9(2)11(12,13)14/h4-8,10,15H,1-3H3/b6-4-,8-5?,9-7+
InChIKeyLNYMRVLOQGRYJA-MERJQDHLSA-N
XLogP3.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine
CID 145332953
(2E,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-amine
CID 130203930
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
CID 125476431
N-[(1E,3E)-1-chloro-5,5,5-trifluoro-4-methylpenta-1,3-dienyl]methanimine
CID 126510662
4-bromo-1,1,1-trifluoro-2-methylbut-2-ene
CID 54541148
4,4-dibromo-1,1,1-trifluoro-2-methylbut-2-ene
CID 151634053
5,5,5-trifluoro-N,4-dimethylpent-3-en-1-amine
CID 79599341
(1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene
CID 143258494
(2E,4E)-5-ethenyl-1,1,1-trifluoro-2,6,7,7-tetramethylocta-2,4-diene
CID 155261834
(E)-2-methyl-N-(2,2,2-trifluoroethyl)pent-3-enamide
CID 126747436

Frequently Asked Questions

What is the IUPAC name of (2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine?
The IUPAC name of (2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine (CID 134365692) is (2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine.
What is the SMILES notation for (2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine?
The canonical SMILES for (2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine is C/C=C\C(C=C/C=C(\C)C(F)(F)F)NC.
What is the InChIKey of (2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine?
The InChIKey is LNYMRVLOQGRYJA-MERJQDHLSA-N. The full InChI is InChI=1S/C11H16F3N/c1-4-6-10(15-3)8-5-7-9(2)11(12,13)14/h4-8,10,15H,1-3H3/b6-4-,8-5?,9-7+.
What are the key properties of (2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine?
(2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine has a molecular weight of 219.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,7E)-9,9,9-trifluoro-N,8-dimethylnona-2,5,7-trien-4-amine is sourced from PubChem (CID 134365692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).