6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol

C10H11F3O — CID 163500382

IUPAC6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(F)C(C2CC2)C(O)C(F)=C1F
InChIInChI=1S/C10H11F3O/c1-4-7(11)6(5-2-3-5)10(14)9(13)8(4)12/h5-6,10,14H,2-3H2,1H3
InChIKeyCUFQMJMRBQPOQH-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.78
Rot. Bonds1

About 6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol

6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol (PubChem CID 163500382) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol
PubChem CID163500382
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(F)C(C2CC2)C(O)C(F)=C1F
InChIInChI=1S/C10H11F3O/c1-4-7(11)6(5-2-3-5)10(14)9(13)8(4)12/h5-6,10,14H,2-3H2,1H3
InChIKeyCUFQMJMRBQPOQH-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2R)-butan-2-yl]-4-fluoro-3-methylcyclohexa-2,4-dien-1-ol
CID 89864981
1,2,4,5-Tetrafluoro-2-methyl-6-methylidenecyclohex-4-ene-1,3-diol
CID 91396506
1-[4-Cyclopropyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol
CID 164088795
5-Cyclopropyl-2,3,4-trifluoro-6-methylcyclohexa-2,5-dien-1-ol
CID 164154732
(4-Fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol
CID 170293621

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol (CID 163500382) is 6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol is CC1=C(F)C(C2CC2)C(O)C(F)=C1F.
What is the InChIKey of 6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is CUFQMJMRBQPOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-4-7(11)6(5-2-3-5)10(14)9(13)8(4)12/h5-6,10,14H,2-3H2,1H3.
What are the key properties of 6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol?
6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 204.19 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2,3,5-trifluoro-4-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 163500382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).