2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol

C13H14F4O2 — CID 107288626

IUPAC2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
SMILESCOC(C1CC1)C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H14F4O2/c1-19-12(7-2-3-7)11(18)8-4-5-9(10(14)6-8)13(15,16)17/h4-7,11-12,18H,2-3H2,1H3
InChIKeyRVCWRQMZGJLKMA-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.30
Rot. Bonds4

About 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol

2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol (PubChem CID 107288626) has the molecular formula C13H14F4O2 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
PubChem CID107288626
Molecular FormulaC13H14F4O2
Molecular Weight278.25 g/mol
Exact Mass278.09
IUPAC Name2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
SMILESCOC(C1CC1)C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C13H14F4O2/c1-19-12(7-2-3-7)11(18)8-4-5-9(10(14)6-8)13(15,16)17/h4-7,11-12,18H,2-3H2,1H3
InChIKeyRVCWRQMZGJLKMA-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol
CID 116712647
1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol
CID 107560146
1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
CID 116712514
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 107288624
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol
CID 107287362
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494
3-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860512
2-cyclohexyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116756263
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylcyclopentyl)methanol
CID 107288498
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol
CID 107288648

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol?
The IUPAC name of 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol (CID 107288626) is 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol.
What is the SMILES notation for 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol?
The canonical SMILES for 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol is COC(C1CC1)C(O)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol?
The InChIKey is RVCWRQMZGJLKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O2/c1-19-12(7-2-3-7)11(18)8-4-5-9(10(14)6-8)13(15,16)17/h4-7,11-12,18H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol?
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol has a molecular weight of 278.25 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol is sourced from PubChem (CID 107288626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).