2-ethyl-4-fluoro-2-propylhexan-1-ol

C11H23FO — CID 168880821

IUPAC2-ethyl-4-fluoro-2-propylhexan-1-ol
SMILESCCCC(CC)(CO)CC(F)CC
InChIInChI=1S/C11H23FO/c1-4-7-11(6-3,9-13)8-10(12)5-2/h10,13H,4-9H2,1-3H3
InChIKeyQXXPABWNGFOYLC-UHFFFAOYSA-N
MW190.30 g/mol
LogP3.31
Rot. Bonds7

About 2-ethyl-4-fluoro-2-propylhexan-1-ol

2-ethyl-4-fluoro-2-propylhexan-1-ol (PubChem CID 168880821) has the molecular formula C11H23FO and a molecular weight of 190.30 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-2-propylhexan-1-ol.

Molecular Properties

Compound Name2-ethyl-4-fluoro-2-propylhexan-1-ol
PubChem CID168880821
Molecular FormulaC11H23FO
Molecular Weight190.30 g/mol
Exact Mass190.17
IUPAC Name2-ethyl-4-fluoro-2-propylhexan-1-ol
SMILESCCCC(CC)(CO)CC(F)CC
InChIInChI=1S/C11H23FO/c1-4-7-11(6-3,9-13)8-10(12)5-2/h10,13H,4-9H2,1-3H3
InChIKeyQXXPABWNGFOYLC-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.30
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-4-fluoro-2-propylhexan-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

3,3-diethylhexane;2,2-diethylpentan-1-ol
CID 159667667
4-fluoro-2-(3-methylbutyl)-2-propylhexan-1-amine
CID 168881109
ethane;2-ethyl-4-fluoro-2-(3-methylbutyl)hexane-1-thiol
CID 168880917
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
2,2-bis(hydroxymethyl)butane-1,4-diol;2,2-diethylpentan-1-ol;methane
CID 157471595
2-[(dimethylamino)methyl]-2-ethylpentan-1-ol
CID 170388129
2-(aminomethyl)-4-methyl-2-propylhexan-1-ol
CID 106506327
5-ethyl-3-methyl-5-propyloctane
CID 57492740
2,2,5,5-tetraethylheptan-1-ol
CID 20826079
2,2-dibutylpropane-1,3-diol;2,2-dipropylpropane-1,3-diol
CID 159748951
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
2,2-bis(sulfanylmethyl)pentan-1-ol
CID 19373302

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-2-propylhexan-1-ol?
The IUPAC name of 2-ethyl-4-fluoro-2-propylhexan-1-ol (CID 168880821) is 2-ethyl-4-fluoro-2-propylhexan-1-ol.
What is the SMILES notation for 2-ethyl-4-fluoro-2-propylhexan-1-ol?
The canonical SMILES for 2-ethyl-4-fluoro-2-propylhexan-1-ol is CCCC(CC)(CO)CC(F)CC.
What is the InChIKey of 2-ethyl-4-fluoro-2-propylhexan-1-ol?
The InChIKey is QXXPABWNGFOYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FO/c1-4-7-11(6-3,9-13)8-10(12)5-2/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-4-fluoro-2-propylhexan-1-ol?
2-ethyl-4-fluoro-2-propylhexan-1-ol has a molecular weight of 190.30 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-fluoro-2-propylhexan-1-ol is sourced from PubChem (CID 168880821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).