1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol

C17H17ClF2O — CID 102617981

IUPAC1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C17H17ClF2O/c1-17(2,12-3-5-13(19)6-4-12)16(21)10-11-9-14(20)7-8-15(11)18/h3-9,16,21H,10H2,1-2H3
InChIKeyZJWWJPPJSAPVMR-UHFFFAOYSA-N
MW310.77 g/mol
LogP4.50
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol

1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol (PubChem CID 102617981) has the molecular formula C17H17ClF2O and a molecular weight of 310.77 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
PubChem CID102617981
Molecular FormulaC17H17ClF2O
Molecular Weight310.77 g/mol
Exact Mass310.09
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
SMILESCC(C)(c1ccc(F)cc1)C(O)Cc1cc(F)ccc1Cl
InChIInChI=1S/C17H17ClF2O/c1-17(2,12-3-5-13(19)6-4-12)16(21)10-11-9-14(20)7-8-15(11)18/h3-9,16,21H,10H2,1-2H3
InChIKeyZJWWJPPJSAPVMR-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.77
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-methylbutane-2,3-diol
CID 103449198
1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769319
1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64770114
1-(2-chloro-5-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 102618078
1-(4-fluoro-2-methylphenyl)-3-methyl-3-phenylbutan-2-ol
CID 114347441
1-(4-tert-butylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622505
3-(2-chloro-5-fluorophenyl)-1,1-difluoropropan-2-ol
CID 102618230
3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 64769125
1-(2-chloro-5-fluorophenyl)-3,4-dimethylpentan-2-ol
CID 102623136
1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769134
4-[1-(2-chloro-5-fluorophenyl)-2-hydroxypropan-2-yl]phenol
CID 102617435
2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol
CID 64768744

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol (CID 102617981) is 1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol is CC(C)(c1ccc(F)cc1)C(O)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
The InChIKey is ZJWWJPPJSAPVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2O/c1-17(2,12-3-5-13(19)6-4-12)16(21)10-11-9-14(20)7-8-15(11)18/h3-9,16,21H,10H2,1-2H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol?
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol has a molecular weight of 310.77 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 102617981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).