(4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol

C12H17F6NO — CID 163911177

IUPAC(4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol
SMILESCC/C(C)=C(C)\C=C(\N)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO/c1-4-7(2)8(3)5-9(19)6-10(20,11(13,14)15)12(16,17)18/h5,20H,4,6,19H2,1-3H3/b8-7-,9-5+
InChIKeyQSEYOUVPRZZELD-ISXYNVPDSA-N
MW305.26 g/mol
LogP3.82
Rot. Bonds4

About (4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol

(4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol (PubChem CID 163911177) has the molecular formula C12H17F6NO and a molecular weight of 305.26 g/mol. Its IUPAC name is (4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol.

Molecular Properties

Compound Name(4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol
PubChem CID163911177
Molecular FormulaC12H17F6NO
Molecular Weight305.26 g/mol
Exact Mass305.12
IUPAC Name(4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol
SMILESCC/C(C)=C(C)\C=C(\N)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO/c1-4-7(2)8(3)5-9(19)6-10(20,11(13,14)15)12(16,17)18/h5,20H,4,6,19H2,1-3H3/b8-7-,9-5+
InChIKeyQSEYOUVPRZZELD-ISXYNVPDSA-N
XLogP3.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol?
The IUPAC name of (4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol (CID 163911177) is (4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol.
What is the SMILES notation for (4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol?
The canonical SMILES for (4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol is CC/C(C)=C(C)\C=C(\N)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol?
The InChIKey is QSEYOUVPRZZELD-ISXYNVPDSA-N. The full InChI is InChI=1S/C12H17F6NO/c1-4-7(2)8(3)5-9(19)6-10(20,11(13,14)15)12(16,17)18/h5,20H,4,6,19H2,1-3H3/b8-7-,9-5+.
What are the key properties of (4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol?
(4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol has a molecular weight of 305.26 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-amino-1,1,1-trifluoro-6,7-dimethyl-2-(trifluoromethyl)nona-4,6-dien-2-ol is sourced from PubChem (CID 163911177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).