4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol

C14H13F3O — CID 64565521

IUPAC4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
SMILESOC(CCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H13F3O/c15-14(16,17)8-7-13(18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,18H,7-8H2
InChIKeyXLHSKCVVCLCVKX-UHFFFAOYSA-N
MW254.25 g/mol
LogP4.22
Rot. Bonds3

About 4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol

4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol (PubChem CID 64565521) has the molecular formula C14H13F3O and a molecular weight of 254.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
PubChem CID64565521
Molecular FormulaC14H13F3O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
SMILESOC(CCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H13F3O/c15-14(16,17)8-7-13(18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,18H,7-8H2
InChIKeyXLHSKCVVCLCVKX-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850
1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol
CID 82783054
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
4,4,4-trifluoro-1-quinolin-6-ylbutan-1-ol
CID 64566958
3-cyclohexyl-1-naphthalen-2-ylpropan-1-ol
CID 115792765
1-naphthalen-2-yl-2-phenylethanol
CID 2793947
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
3-methyl-1-naphthalen-2-ylbutan-1-ol
CID 62717256
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
naphthalen-2-ylmethanediol
CID 22496827
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol (CID 64565521) is 4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol is OC(CCC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol?
The InChIKey is XLHSKCVVCLCVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O/c15-14(16,17)8-7-13(18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13,18H,7-8H2.
What are the key properties of 4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol?
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol has a molecular weight of 254.25 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol is sourced from PubChem (CID 64565521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).