[3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol

C11H13F3O — CID 148958924

IUPAC[3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C=C(C2CC2)C(C(F)(F)F)=CC1
InChIInChI=1S/C11H13F3O/c12-11(13,14)10-4-1-7(6-15)5-9(10)8-2-3-8/h4-5,7-8,15H,1-3,6H2
InChIKeyPRKPKBFNNYXIGG-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.82
Rot. Bonds2

About [3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol

[3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 148958924) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is [3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID148958924
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name[3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESOCC1C=C(C2CC2)C(C(F)(F)F)=CC1
InChIInChI=1S/C11H13F3O/c12-11(13,14)10-4-1-7(6-15)5-9(10)8-2-3-8/h4-5,7-8,15H,1-3,6H2
InChIKeyPRKPKBFNNYXIGG-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 90075760
[2-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]cyclopropyl]methanol
CID 91331914
[2-Fluoro-4-(fluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 117808356
[(1S)-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 117808377
[3-[Cyclopropyl(difluoro)methyl]cyclohexa-2,4-dien-1-yl]methanol
CID 123645852
[4-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141833896
2-(3,4,5-Trifluorocyclohexa-1,3-dien-1-yl)propan-1-ol
CID 143987869
Ethane;[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 144020186
2-(3,4,5-Trifluoro-3-methylcyclohexa-1,5-dien-1-yl)propan-1-ol
CID 162166986
3-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]propan-1-ol
CID 162545095
2-(3,5-Difluorocyclohexa-1,3-dien-1-yl)propan-1-ol
CID 163770846
2-(3,5-Difluorocyclohexa-1,5-dien-1-yl)-4-methylpentan-1-ol
CID 163787551

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol (CID 148958924) is [3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol is OCC1C=C(C2CC2)C(C(F)(F)F)=CC1.
What is the InChIKey of [3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is PRKPKBFNNYXIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c12-11(13,14)10-4-1-7(6-15)5-9(10)8-2-3-8/h4-5,7-8,15H,1-3,6H2.
What are the key properties of [3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol?
[3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 218.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 148958924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).