1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol

C12H16F2O2 — CID 114931509

IUPAC1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol
SMILESCCOC(C)C(O)Cc1c(F)cccc1F
InChIInChI=1S/C12H16F2O2/c1-3-16-8(2)12(15)7-9-10(13)5-4-6-11(9)14/h4-6,8,12,15H,3,7H2,1-2H3
InChIKeyWZHDNXMYTFTWEN-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.29
Rot. Bonds5

About 1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol

1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol (PubChem CID 114931509) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol
PubChem CID114931509
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol
SMILESCCOC(C)C(O)Cc1c(F)cccc1F
InChIInChI=1S/C12H16F2O2/c1-3-16-8(2)12(15)7-9-10(13)5-4-6-11(9)14/h4-6,8,12,15H,3,7H2,1-2H3
InChIKeyWZHDNXMYTFTWEN-UHFFFAOYSA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-difluorophenyl)butane-2,3-diol
CID 103452859
1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol
CID 114931734
3-(2,6-difluorophenyl)-1-methoxy-1-phenylpropan-2-ol
CID 114931735
3-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 64541532
3-ethoxy-1-(2-methylphenyl)butan-2-ol
CID 64541141
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
2-(3-chloro-2-methylpropyl)-1,3-difluorobenzene
CID 18989689
1-(2-amino-3-pyridinyl)-3-ethoxybutan-2-ol
CID 64541569
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 114932658
1-(4-tert-butylphenyl)-3-ethoxybutan-2-ol
CID 64541572
1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 114932646
4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol
CID 114931570

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol?
The IUPAC name of 1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol (CID 114931509) is 1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol is CCOC(C)C(O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol?
The InChIKey is WZHDNXMYTFTWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-3-16-8(2)12(15)7-9-10(13)5-4-6-11(9)14/h4-6,8,12,15H,3,7H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol?
1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol has a molecular weight of 230.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-ethoxybutan-2-ol is sourced from PubChem (CID 114931509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).