2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol

C11H15F3O — CID 67618108

IUPAC2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESCC(C)C(O)C1(C(F)(F)F)C=CC=CC1
InChIInChI=1S/C11H15F3O/c1-8(2)9(15)10(11(12,13)14)6-4-3-5-7-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyGPVQSNGUVUCSAN-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.07
Rot. Bonds2

About 2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol

2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol (PubChem CID 67618108) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol
PubChem CID67618108
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESCC(C)C(O)C1(C(F)(F)F)C=CC=CC1
InChIInChI=1S/C11H15F3O/c1-8(2)9(15)10(11(12,13)14)6-4-3-5-7-10/h3-6,8-9,15H,7H2,1-2H3
InChIKeyGPVQSNGUVUCSAN-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol (CID 67618108) is 2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol is CC(C)C(O)C1(C(F)(F)F)C=CC=CC1.
What is the InChIKey of 2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol?
The InChIKey is GPVQSNGUVUCSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c1-8(2)9(15)10(11(12,13)14)6-4-3-5-7-10/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol?
2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol has a molecular weight of 220.23 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propan-1-ol is sourced from PubChem (CID 67618108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).