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

C9H8F6O — CID 118396525

IUPAC5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESCC1=C(C(F)(F)F)C=C(C(F)(F)F)C(O)C1
InChIInChI=1S/C9H8F6O/c1-4-2-7(16)6(9(13,14)15)3-5(4)8(10,11)12/h3,7,16H,2H2,1H3
InChIKeyFEVNUINHMFSFMZ-UHFFFAOYSA-N
MW246.15 g/mol
LogP3.12
Rot. Bonds

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

5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 118396525) has the molecular formula C9H8F6O and a molecular weight of 246.15 g/mol. Its IUPAC name is 5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol
PubChem CID118396525
Molecular FormulaC9H8F6O
Molecular Weight246.15 g/mol
Exact Mass246.05
IUPAC Name5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol
SMILESCC1=C(C(F)(F)F)C=C(C(F)(F)F)C(O)C1
InChIInChI=1S/C9H8F6O/c1-4-2-7(16)6(9(13,14)15)3-5(4)8(10,11)12/h3,7,16H,2H2,1H3
InChIKeyFEVNUINHMFSFMZ-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol (CID 118396525) is 5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol is CC1=C(C(F)(F)F)C=C(C(F)(F)F)C(O)C1.
What is the InChIKey of 5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is FEVNUINHMFSFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6O/c1-4-2-7(16)6(9(13,14)15)3-5(4)8(10,11)12/h3,7,16H,2H2,1H3.
What are the key properties of 5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol?
5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 246.15 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 118396525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).