2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol

C12H14F2O2 — CID 116712647

IUPAC2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol
SMILESCOC(C1CC1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2O2/c1-16-12(7-2-3-7)11(15)8-4-5-9(13)10(14)6-8/h4-7,11-12,15H,2-3H2,1H3
InChIKeyKTZWAGNCOYQWIO-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.42
Rot. Bonds4

About 2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol

2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol (PubChem CID 116712647) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol
PubChem CID116712647
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol
SMILESCOC(C1CC1)C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2O2/c1-16-12(7-2-3-7)11(15)8-4-5-9(13)10(14)6-8/h4-7,11-12,15H,2-3H2,1H3
InChIKeyKTZWAGNCOYQWIO-UHFFFAOYSA-N
XLogP2.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
CID 107288626
1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol
CID 107560146
1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
CID 116712514
(1S)-1-(3,4-difluorophenyl)-2,2-dimethoxyethanol
CID 97030750
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494
2-chloro-1-(3,4-difluorophenyl)propan-1-ol
CID 116863660
2-cyclopropyl-2-methoxy-1-thiophen-3-ylethanol
CID 116712674
1-(3,4-difluorophenyl)-2-methoxy-2-phenylethanol
CID 116756981
2-cyclohexyl-2-methoxy-1-(4-methoxyphenyl)ethanol
CID 116756367
3-(3,4-difluorophenyl)-3-hydroxy-2-methylpropanenitrile
CID 79137149
methyl 3-(3,4-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863651
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol?
The IUPAC name of 2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol (CID 116712647) is 2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol?
The canonical SMILES for 2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol is COC(C1CC1)C(O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol?
The InChIKey is KTZWAGNCOYQWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-16-12(7-2-3-7)11(15)8-4-5-9(13)10(14)6-8/h4-7,11-12,15H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol?
2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol has a molecular weight of 228.24 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol is sourced from PubChem (CID 116712647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).