2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol

C13H19FO — CID 66060199

IUPAC2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
SMILESCCC(CC)(CO)Cc1cccc(F)c1
InChIInChI=1S/C13H19FO/c1-3-13(4-2,10-15)9-11-6-5-7-12(14)8-11/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyUIOSDMKYQIOMIG-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.17
Rot. Bonds5

About 2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol

2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol (PubChem CID 66060199) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
PubChem CID66060199
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
SMILESCCC(CC)(CO)Cc1cccc(F)c1
InChIInChI=1S/C13H19FO/c1-3-13(4-2,10-15)9-11-6-5-7-12(14)8-11/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyUIOSDMKYQIOMIG-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

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Related Compounds

2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 62271084
N-tert-butyl-2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 63507260
1-[2-(bromomethyl)-2-ethylhexyl]-3-fluorobenzene
CID 66050230
2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 62519065
2-benzyl-2-ethylpropane-1,3-diol
CID 19862076
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 106508343
2-[(2,5-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66059134
2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile
CID 114835027
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
CID 71052511
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol (CID 66060199) is 2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol is CCC(CC)(CO)Cc1cccc(F)c1.
What is the InChIKey of 2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol?
The InChIKey is UIOSDMKYQIOMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-3-13(4-2,10-15)9-11-6-5-7-12(14)8-11/h5-8,15H,3-4,9-10H2,1-2H3.
What are the key properties of 2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol?
2-ethyl-2-[(3-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-[(3-fluorophenyl)methyl]butan-1-ol is sourced from PubChem (CID 66060199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).