3-ethyl-1-(2-fluorophenyl)pentan-1-ol

C13H19FO — CID 82919842

IUPAC3-ethyl-1-(2-fluorophenyl)pentan-1-ol
SMILESCCC(CC)CC(O)c1ccccc1F
InChIInChI=1S/C13H19FO/c1-3-10(4-2)9-13(15)11-7-5-6-8-12(11)14/h5-8,10,13,15H,3-4,9H2,1-2H3
InChIKeyAAFUTZOYBKVCPO-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.69
Rot. Bonds5

About 3-ethyl-1-(2-fluorophenyl)pentan-1-ol

3-ethyl-1-(2-fluorophenyl)pentan-1-ol (PubChem CID 82919842) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluorophenyl)pentan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(2-fluorophenyl)pentan-1-ol
PubChem CID82919842
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name3-ethyl-1-(2-fluorophenyl)pentan-1-ol
SMILESCCC(CC)CC(O)c1ccccc1F
InChIInChI=1S/C13H19FO/c1-3-10(4-2)9-13(15)11-7-5-6-8-12(11)14/h5-8,10,13,15H,3-4,9H2,1-2H3
InChIKeyAAFUTZOYBKVCPO-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-fluorophenyl)-3-ethylpentan-1-ol
CID 82928590
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
(1S,3S)-3-amino-1-(2-fluorophenyl)butane-1,4-diol
CID 55263608
3-ethyl-1-(3-fluoro-2-pyridinyl)pentan-1-ol
CID 82920139
(1S)-2-bromo-1-(2-fluorophenyl)ethanol
CID 24862084
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
1-(4-chloro-2,5-difluorophenyl)-3-ethylpentan-1-ol
CID 115829819
3-ethyl-1-(2-methylsulfanylphenyl)heptan-1-ol
CID 114981298
3-(dimethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62645456
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluorophenyl)pentan-1-ol?
The IUPAC name of 3-ethyl-1-(2-fluorophenyl)pentan-1-ol (CID 82919842) is 3-ethyl-1-(2-fluorophenyl)pentan-1-ol.
What is the SMILES notation for 3-ethyl-1-(2-fluorophenyl)pentan-1-ol?
The canonical SMILES for 3-ethyl-1-(2-fluorophenyl)pentan-1-ol is CCC(CC)CC(O)c1ccccc1F.
What is the InChIKey of 3-ethyl-1-(2-fluorophenyl)pentan-1-ol?
The InChIKey is AAFUTZOYBKVCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-3-10(4-2)9-13(15)11-7-5-6-8-12(11)14/h5-8,10,13,15H,3-4,9H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-fluorophenyl)pentan-1-ol?
3-ethyl-1-(2-fluorophenyl)pentan-1-ol has a molecular weight of 210.29 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluorophenyl)pentan-1-ol is sourced from PubChem (CID 82919842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).