2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol

C9H9F5O — CID 118281593

IUPAC2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESCC1=C(C(F)(F)F)C=C(C(F)F)C(O)C1
InChIInChI=1S/C9H9F5O/c1-4-2-7(15)5(8(10)11)3-6(4)9(12,13)14/h3,7-8,15H,2H2,1H3
InChIKeySEFGZQFQPOGFTH-UHFFFAOYSA-N
MW228.16 g/mol
LogP2.82
Rot. Bonds1

About 2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol

2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 118281593) has the molecular formula C9H9F5O and a molecular weight of 228.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
PubChem CID118281593
Molecular FormulaC9H9F5O
Molecular Weight228.16 g/mol
Exact Mass228.06
IUPAC Name2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESCC1=C(C(F)(F)F)C=C(C(F)F)C(O)C1
InChIInChI=1S/C9H9F5O/c1-4-2-7(15)5(8(10)11)3-6(4)9(12,13)14/h3,7-8,15H,2H2,1H3
InChIKeySEFGZQFQPOGFTH-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol (CID 118281593) is 2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is CC1=C(C(F)(F)F)C=C(C(F)F)C(O)C1.
What is the InChIKey of 2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is SEFGZQFQPOGFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F5O/c1-4-2-7(15)5(8(10)11)3-6(4)9(12,13)14/h3,7-8,15H,2H2,1H3.
What are the key properties of 2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 228.16 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 118281593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).