1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol

C14H21FO — CID 107892822

IUPAC1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol
SMILESCCCC(C)C(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FO/c1-4-5-11(2)14(3,16)10-12-6-8-13(15)9-7-12/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyKAAFZBXOMKHYNW-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.56
Rot. Bonds5

About 1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol

1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol (PubChem CID 107892822) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol
PubChem CID107892822
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol
SMILESCCCC(C)C(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FO/c1-4-5-11(2)14(3,16)10-12-6-8-13(15)9-7-12/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyKAAFZBXOMKHYNW-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol
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1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
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2,3-dimethyl-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
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1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol
CID 114832950
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CID 65144980
1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol
CID 60918368
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CID 60797567
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CID 59019242
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
3-(4-fluorophenyl)-2-N,2-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
CID 114831127

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol (CID 107892822) is 1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol is CCCC(C)C(C)(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol?
The InChIKey is KAAFZBXOMKHYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-4-5-11(2)14(3,16)10-12-6-8-13(15)9-7-12/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol?
1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol has a molecular weight of 224.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2,3-dimethylhexan-2-ol is sourced from PubChem (CID 107892822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).