6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol

C16H17F3O — CID 116536006

IUPAC6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C16H17F3O/c1-15(20,9-4-10-16(17,18)19)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11,20H,4,9-10H2,1H3
InChIKeyRMBFGNRNVAIZHZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.78
Rot. Bonds4

About 6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol

6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol (PubChem CID 116536006) has the molecular formula C16H17F3O and a molecular weight of 282.31 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol
PubChem CID116536006
Molecular FormulaC16H17F3O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C16H17F3O/c1-15(20,9-4-10-16(17,18)19)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11,20H,4,9-10H2,1H3
InChIKeyRMBFGNRNVAIZHZ-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 116535882
4-(dimethylamino)-2-naphthalen-2-ylbutan-2-ol
CID 85377854
2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol
CID 115515246
1-amino-2-naphthalen-2-ylpropan-2-ol
CID 62773964
2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
CID 116535938
6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
CID 115515280
trinaphthalen-2-ylmethanol
CID 10573628
2-(4,4,4-trifluorobutyl)naphthalene
CID 91307122
2-(6-methoxynaphthalen-2-yl)hexan-2-ol
CID 71294239
2-naphthalen-2-yl-1-(propylamino)propan-2-ol
CID 62772418
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
2-(2,4,4-trimethylpentan-2-yl)naphthalene
CID 18987503

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol (CID 116536006) is 6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol is CC(O)(CCCC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol?
The InChIKey is RMBFGNRNVAIZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O/c1-15(20,9-4-10-16(17,18)19)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11,20H,4,9-10H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol?
6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol has a molecular weight of 282.31 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol is sourced from PubChem (CID 116536006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).