2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol

C13H18F2O — CID 66058296

IUPAC2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Cc1cccc(F)c1F
InChIInChI=1S/C13H18F2O/c1-3-13(4-2,9-16)8-10-6-5-7-11(14)12(10)15/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyKOFVDCNIZPHSBN-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.31
Rot. Bonds5

About 2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol

2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol (PubChem CID 66058296) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol
PubChem CID66058296
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Cc1cccc(F)c1F
InChIInChI=1S/C13H18F2O/c1-3-13(4-2,9-16)8-10-6-5-7-11(14)12(10)15/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyKOFVDCNIZPHSBN-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
2-ethyl-2-[(2-fluoro-3-methoxyphenyl)methyl]butan-1-ol
CID 113453954
2-[(3-chloro-2-fluorophenyl)methyl]-2-ethylpropane-1,3-diol
CID 102863931
1-(2,2-dimethylbutyl)-2,3-difluorobenzene
CID 135277265
1-(2,3-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996284
2-[(2,5-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66059134
2-[(2,3-difluorophenyl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63507222
2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199
1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 65146702
1-(2,3-difluorophenyl)-2-methylheptan-2-ol
CID 80557812
1-ethyl-2,3-difluorobenzene;methanamine
CID 143205868
2-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 112654949

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol (CID 66058296) is 2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)Cc1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol?
The InChIKey is KOFVDCNIZPHSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-3-13(4-2,9-16)8-10-6-5-7-11(14)12(10)15/h5-7,16H,3-4,8-9H2,1-2H3.
What are the key properties of 2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol?
2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol has a molecular weight of 228.28 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 66058296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).