4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol

C10H13F3O2 — CID 146725370

IUPAC4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol
SMILESCC1=CC=C(O)C(OC(F)C(C)(F)F)C1
InChIInChI=1S/C10H13F3O2/c1-6-3-4-7(14)8(5-6)15-9(11)10(2,12)13/h3-4,8-9,14H,5H2,1-2H3
InChIKeyRGGNGQNSQNPHKQ-UHFFFAOYSA-N
MW222.21 g/mol
LogP3.11
Rot. Bonds3

About 4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol

4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol (PubChem CID 146725370) has the molecular formula C10H13F3O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol
PubChem CID146725370
Molecular FormulaC10H13F3O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol
SMILESCC1=CC=C(O)C(OC(F)C(C)(F)F)C1
InChIInChI=1S/C10H13F3O2/c1-6-3-4-7(14)8(5-6)15-9(11)10(2,12)13/h3-4,8-9,14H,5H2,1-2H3
InChIKeyRGGNGQNSQNPHKQ-UHFFFAOYSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol (CID 146725370) is 4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol is CC1=CC=C(O)C(OC(F)C(C)(F)F)C1.
What is the InChIKey of 4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol?
The InChIKey is RGGNGQNSQNPHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O2/c1-6-3-4-7(14)8(5-6)15-9(11)10(2,12)13/h3-4,8-9,14H,5H2,1-2H3.
What are the key properties of 4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol?
4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol has a molecular weight of 222.21 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1,2,2-trifluoropropoxy)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 146725370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).