3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol

C16H25FO — CID 114209768

IUPAC3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol
SMILESCCC(O)(CCCC(C)(C)C)c1ccccc1F
InChIInChI=1S/C16H25FO/c1-5-16(18,12-8-11-15(2,3)4)13-9-6-7-10-14(13)17/h6-7,9-10,18H,5,8,11-12H2,1-4H3
InChIKeyHRPJVNCTEYYXRN-UHFFFAOYSA-N
MW252.37 g/mol
LogP4.64
Rot. Bonds5

About 3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol

3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol (PubChem CID 114209768) has the molecular formula C16H25FO and a molecular weight of 252.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol
PubChem CID114209768
Molecular FormulaC16H25FO
Molecular Weight252.37 g/mol
Exact Mass252.19
IUPAC Name3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol
SMILESCCC(O)(CCCC(C)(C)C)c1ccccc1F
InChIInChI=1S/C16H25FO/c1-5-16(18,12-8-11-15(2,3)4)13-9-6-7-10-14(13)17/h6-7,9-10,18H,5,8,11-12H2,1-4H3
InChIKeyHRPJVNCTEYYXRN-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 114931152
5-ethyl-3-(2-fluorophenyl)heptan-3-ol
CID 112679496
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
2-(2-fluorophenyl)nonan-2-ol
CID 65144891
2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol
CID 65145426
1-(2,3-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996284
4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol
CID 130315613
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
7,7,7-trifluoro-3-phenylheptan-3-ol
CID 113326695
1-(2,3-dichlorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 107307633
2-(2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 112679658
1-(2-fluorophenyl)-1-(4-methylphenyl)propan-1-ol
CID 112679383

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol?
The IUPAC name of 3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol (CID 114209768) is 3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol.
What is the SMILES notation for 3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol?
The canonical SMILES for 3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol is CCC(O)(CCCC(C)(C)C)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol?
The InChIKey is HRPJVNCTEYYXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO/c1-5-16(18,12-8-11-15(2,3)4)13-9-6-7-10-14(13)17/h6-7,9-10,18H,5,8,11-12H2,1-4H3.
What are the key properties of 3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol?
3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol has a molecular weight of 252.37 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-7,7-dimethyloctan-3-ol is sourced from PubChem (CID 114209768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).