2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol

C16H25FO — CID 64768744

IUPAC2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol
SMILESCC(C)(C)CCC(O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FO/c1-15(2,3)11-10-14(18)16(4,5)12-6-8-13(17)9-7-12/h6-9,14,18H,10-11H2,1-5H3
InChIKeyFXXDNJRZYAQQEC-UHFFFAOYSA-N
MW252.37 g/mol
LogP4.29
Rot. Bonds4

About 2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol

2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol (PubChem CID 64768744) has the molecular formula C16H25FO and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol
PubChem CID64768744
Molecular FormulaC16H25FO
Molecular Weight252.37 g/mol
Exact Mass252.19
IUPAC Name2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol
SMILESCC(C)(C)CCC(O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C16H25FO/c1-15(2,3)11-10-14(18)16(4,5)12-6-8-13(17)9-7-12/h6-9,14,18H,10-11H2,1-5H3
InChIKeyFXXDNJRZYAQQEC-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol
CID 115516102
2-(4-fluorophenyl)-2-methylhept-6-yn-3-ol
CID 64769916
3-(4-fluorophenyl)-3-methyl-1-(4-methylphenyl)butan-2-ol
CID 64769125
1-(4-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769134
1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64770114
1-(2,6-dichlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 64769319
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-ol
CID 102617981
3-(4-fluorophenyl)-3-methyl-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79824785
(2R)-4-[[(2R)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]butan-2-ol
CID 99822491
3-(4-fluorophenyl)-3-methyl-1-(1-methylpyrazol-3-yl)butan-2-ol
CID 82870006
2-(4-fluorophenyl)-5,5-dimethylhexanoic acid
CID 79434707
2-(4-fluorophenyl)-6-methylheptan-2-ol
CID 83158726

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol?
The IUPAC name of 2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol (CID 64768744) is 2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol?
The canonical SMILES for 2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol is CC(C)(C)CCC(O)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol?
The InChIKey is FXXDNJRZYAQQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO/c1-15(2,3)11-10-14(18)16(4,5)12-6-8-13(17)9-7-12/h6-9,14,18H,10-11H2,1-5H3.
What are the key properties of 2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol?
2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol has a molecular weight of 252.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2,6,6-trimethylheptan-3-ol is sourced from PubChem (CID 64768744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).