2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol

C13H19FO — CID 83151720

IUPAC2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)(CO)Cc1ccc(F)cc1
InChIInChI=1S/C13H19FO/c1-10(2)13(3,9-15)8-11-4-6-12(14)7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyVXTRGKAIHDJGQG-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.02
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol

2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol (PubChem CID 83151720) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
PubChem CID83151720
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)(CO)Cc1ccc(F)cc1
InChIInChI=1S/C13H19FO/c1-10(2)13(3,9-15)8-11-4-6-12(14)7-5-11/h4-7,10,15H,8-9H2,1-3H3
InChIKeyVXTRGKAIHDJGQG-UHFFFAOYSA-N
XLogP3.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-ethylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83150614
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 107895015
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 105375980
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149275
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylbutan-1-ol
CID 83150043
4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol
CID 82112185
1-[2,2-bis(chloromethyl)-3-methylbutyl]-4-fluorobenzene
CID 79447880
1-(4-fluorophenyl)-2,3,5-trimethylhexan-2-ol
CID 114284823
1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol
CID 107892822
1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol
CID 114832950

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol (CID 83151720) is 2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol is CC(C)C(C)(CO)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol?
The InChIKey is VXTRGKAIHDJGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-10(2)13(3,9-15)8-11-4-6-12(14)7-5-11/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol?
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol has a molecular weight of 210.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 83151720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).