2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol

C13H19FO — CID 66058091

IUPAC2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
SMILESCCC(CC)(CO)Cc1ccccc1F
InChIInChI=1S/C13H19FO/c1-3-13(4-2,10-15)9-11-7-5-6-8-12(11)14/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyJYDJBTMJZXIGAN-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.17
Rot. Bonds5

About 2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol

2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol (PubChem CID 66058091) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
PubChem CID66058091
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
SMILESCCC(CC)(CO)Cc1ccccc1F
InChIInChI=1S/C13H19FO/c1-3-13(4-2,10-15)9-11-7-5-6-8-12(11)14/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyJYDJBTMJZXIGAN-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-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

2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66058296
2-[(2,5-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66059134
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
N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine
CID 63508094
3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol
CID 111498765
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
CID 114835046
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
2-benzyl-2-ethylpropane-1,3-diol
CID 19862076
2-(2-fluoroanilino)-3-(2-fluorophenyl)-2-methylpropan-1-ol
CID 114834230
3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
CID 114832904
2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol (CID 66058091) is 2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol is CCC(CC)(CO)Cc1ccccc1F.
What is the InChIKey of 2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol?
The InChIKey is JYDJBTMJZXIGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-3-13(4-2,10-15)9-11-7-5-6-8-12(11)14/h5-8,15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol?
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol has a molecular weight of 210.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol is sourced from PubChem (CID 66058091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).