4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol

C12H17FO — CID 82112185

IUPAC4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C12H17FO/c1-12(2,7-8-14)9-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3
InChIKeyBVOMVGODZCGITI-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.78
Rot. Bonds4

About 4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol

4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol (PubChem CID 82112185) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol
PubChem CID82112185
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol
SMILESCC(C)(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C12H17FO/c1-12(2,7-8-14)9-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3
InChIKeyBVOMVGODZCGITI-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

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1-(2,2-dimethyl-3-nitrosopropyl)-4-fluorobenzene
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1-(2,2-dimethylpent-4-enyl)-4-fluorobenzene
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1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83151720
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-(4-tert-butylphenyl)-2-(4-fluorophenyl)propan-2-ol
CID 65144980
3-[(4-fluorophenyl)methyl]pentan-3-ol
CID 60797567
1-fluoro-4-(2,2,3-trimethylbutyl)benzene
CID 59019242
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
3-(4-fluorophenyl)-3-(methylamino)butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol (CID 82112185) is 4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol is CC(C)(CCO)Cc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol?
The InChIKey is BVOMVGODZCGITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-12(2,7-8-14)9-10-3-5-11(13)6-4-10/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol?
4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol has a molecular weight of 196.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 82112185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).