[2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol

C9H10F4O2 — CID 163813342

IUPAC[2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol
SMILESCC1CC(F)=C(CO)C=C1OC(F)(F)F
InChIInChI=1S/C9H10F4O2/c1-5-2-7(10)6(4-14)3-8(5)15-9(11,12)13/h3,5,14H,2,4H2,1H3
InChIKeyNPEQCYHVFRQGBH-UHFFFAOYSA-N
MW226.17 g/mol
LogP2.66
Rot. Bonds2

About [2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol

[2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 163813342) has the molecular formula C9H10F4O2 and a molecular weight of 226.17 g/mol. Its IUPAC name is [2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol
PubChem CID163813342
Molecular FormulaC9H10F4O2
Molecular Weight226.17 g/mol
Exact Mass226.06
IUPAC Name[2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol
SMILESCC1CC(F)=C(CO)C=C1OC(F)(F)F
InChIInChI=1S/C9H10F4O2/c1-5-2-7(10)6(4-14)3-8(5)15-9(11,12)13/h3,5,14H,2,4H2,1H3
InChIKeyNPEQCYHVFRQGBH-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol (CID 163813342) is [2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol is CC1CC(F)=C(CO)C=C1OC(F)(F)F.
What is the InChIKey of [2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is NPEQCYHVFRQGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O2/c1-5-2-7(10)6(4-14)3-8(5)15-9(11,12)13/h3,5,14H,2,4H2,1H3.
What are the key properties of [2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol?
[2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 226.17 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 163813342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).