1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol

C14H17F3O — CID 123737559

IUPAC1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol
SMILESOC(C1=CC=CCC1)(C1C=CCCC1)C(F)(F)F
InChIInChI=1S/C14H17F3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3,5,7,9,12,18H,2,4,6,8,10H2
InChIKeyJWMQWDNIGCYCJU-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.91
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol

1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol (PubChem CID 123737559) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol
PubChem CID123737559
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol
SMILESOC(C1=CC=CCC1)(C1C=CCCC1)C(F)(F)F
InChIInChI=1S/C14H17F3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3,5,7,9,12,18H,2,4,6,8,10H2
InChIKeyJWMQWDNIGCYCJU-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol with MolForge

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Related Compounds

(1R,4aR,8aS)-1-allyl-8,8-difluoro-2,5-dimethyl-1,4,4a,7,8,8a-hexahydronaphthalen-1-ol
CID 168301396
1,1,1-Trifluoro-2-[4-(5-methylhexan-3-yl)cyclohexen-1-yl]but-3-en-2-ol
CID 68384493
1-(3-Tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol
CID 70332633
1-[(3Z)-3,4-difluorohepta-1,3-dien-2-yl]-4-ethenylcyclohexan-1-ol
CID 88953249
1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol
CID 89062357
(1S)-1-[(2E,4aR)-2-[(2Z)-penta-2,4-dienylidene]-4,4a,5,6-tetrahydro-3H-naphthalen-1-yl]-2,2,2-trifluoroethanol
CID 89297435
6-Cyclohexyl-1-(trifluoromethyl)cyclohexa-3,5-diene-1,3-diol
CID 90387829
3,5-Difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol
CID 90411193
1-Cyclohexa-1,3-dien-1-yl-2,2,2-trifluoro-1-(4-fluorocyclohexen-1-yl)ethanol
CID 123627516
1,1,1,3,3,3-Hexafluoro-2-(4-pentan-3-ylcyclohexen-1-yl)propan-2-ol
CID 123883251
6-Ethylidene-3-methylidene-5-(1,1,2-trifluoropropan-2-yl)deca-7,9-dien-5-ol
CID 123896089
1-[4-(Fluoromethylidene)cyclohexa-1,5-dien-1-yl]cyclohexan-1-ol
CID 124020656

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol (CID 123737559) is 1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol is OC(C1=CC=CCC1)(C1C=CCCC1)C(F)(F)F.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol?
The InChIKey is JWMQWDNIGCYCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O/c15-14(16,17)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3,5,7,9,12,18H,2,4,6,8,10H2.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol?
1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol has a molecular weight of 258.28 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-1-cyclohex-2-en-1-yl-2,2,2-trifluoroethanol is sourced from PubChem (CID 123737559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).