4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol

C10H13F3O — CID 70245174

IUPAC4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol
SMILESCC(C)(C1C=CC(O)=CC1)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-9(2,10(11,12)13)7-3-5-8(14)6-4-7/h3,5-7,14H,4H2,1-2H3
InChIKeyCMXFMMNYBCZMOT-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.59
Rot. Bonds1

About 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol

4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol (PubChem CID 70245174) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol
PubChem CID70245174
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol
SMILESCC(C)(C1C=CC(O)=CC1)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-9(2,10(11,12)13)7-3-5-8(14)6-4-7/h3,5-7,14H,4H2,1-2H3
InChIKeyCMXFMMNYBCZMOT-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol (CID 70245174) is 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol is CC(C)(C1C=CC(O)=CC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol?
The InChIKey is CMXFMMNYBCZMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-9(2,10(11,12)13)7-3-5-8(14)6-4-7/h3,5-7,14H,4H2,1-2H3.
What are the key properties of 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol?
4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol has a molecular weight of 206.21 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoro-2-methylpropan-2-yl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 70245174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).