1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol

C12H17FO — CID 60798491

IUPAC1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C12H17FO/c1-9(2)12(3,14)8-10-5-4-6-11(13)7-10/h4-7,9,14H,8H2,1-3H3
InChIKeyOFXFCVREWXSNFX-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.78
Rot. Bonds3

About 1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol

1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol (PubChem CID 60798491) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
PubChem CID60798491
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C12H17FO/c1-9(2)12(3,14)8-10-5-4-6-11(13)7-10/h4-7,9,14H,8H2,1-3H3
InChIKeyOFXFCVREWXSNFX-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
CID 60798225
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422
1-(3-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 103038887
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978
2,3-dimethyl-1-naphthalen-2-ylbutan-2-ol
CID 57195699
3,3-difluoro-4-(3-fluorophenyl)butan-2-amine
CID 105455070
1-(3-fluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66000874
2-(5-fluoro-2-methylphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833350
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346
methyl 2-[1-(3-fluorophenyl)-2-hydroxypropan-2-yl]hexanoate
CID 114834469

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol (CID 60798491) is 1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol?
The InChIKey is OFXFCVREWXSNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-9(2)12(3,14)8-10-5-4-6-11(13)7-10/h4-7,9,14H,8H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol?
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol has a molecular weight of 196.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 60798491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).