(2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol

C8H11F3O — CID 126728207

IUPAC(2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol
SMILESC/C=C(O)\C=C/C(C)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-3-7(12)5-4-6(2)8(9,10)11/h3-6,12H,1-2H3/b5-4-,7-3+
InChIKeyMQNMQSNIILXMQX-SBYNAHCQSA-N
MW180.17 g/mol
LogP3.20
Rot. Bonds2

About (2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol

(2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol (PubChem CID 126728207) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is (2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol
PubChem CID126728207
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol
SMILESC/C=C(O)\C=C/C(C)C(F)(F)F
InChIInChI=1S/C8H11F3O/c1-3-7(12)5-4-6(2)8(9,10)11/h3-6,12H,1-2H3/b5-4-,7-3+
InChIKeyMQNMQSNIILXMQX-SBYNAHCQSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E)-1,1,1-trifluoro-2-(trifluoromethyl)octa-3,5-dien-2-ol
CID 88012124
(3E,5Z)-8,8,8-trifluoroocta-1,3,5-trien-4-ol
CID 88563032
(3Z,5E)-5-fluoro-8-methylnona-1,3,5,8-tetraen-2-ol
CID 88583275
(2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol
CID 88932310
(Z,1E)-1-[6-ethenylidene-4-(fluoromethyl)cyclohexa-2,4-dien-1-ylidene]but-2-en-1-ol
CID 89292335
(3E,5E)-7,7-difluoro-6-methylocta-1,3,5-trien-4-ol
CID 89301063
(4Z,6Z,8E)-8-fluorodeca-1,4,6,8-tetraen-5-ol
CID 89403049
(3E,5Z)-7-fluoro-2-methylocta-3,5-dien-3-ol
CID 89688581
(3Z,5E)-4-(1,1-difluoropropyl)-6-methylnona-1,3,5,8-tetraen-3-ol
CID 129091050
(3Z,5Z)-4-(1,1-difluoroethyl)hepta-1,3,5-trien-3-ol
CID 129091205
(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-ol
CID 130317502
(3Z)-6-methyl-4-(trifluoromethyl)hepta-1,3,5-trien-3-ol
CID 132032794

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol?
The IUPAC name of (2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol (CID 126728207) is (2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol.
What is the SMILES notation for (2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol?
The canonical SMILES for (2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol is C/C=C(O)\C=C/C(C)C(F)(F)F.
What is the InChIKey of (2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol?
The InChIKey is MQNMQSNIILXMQX-SBYNAHCQSA-N. The full InChI is InChI=1S/C8H11F3O/c1-3-7(12)5-4-6(2)8(9,10)11/h3-6,12H,1-2H3/b5-4-,7-3+.
What are the key properties of (2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol?
(2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol has a molecular weight of 180.17 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-7,7,7-trifluoro-6-methylhepta-2,4-dien-3-ol is sourced from PubChem (CID 126728207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).