1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol

C13H11F3O — CID 62963158

IUPAC1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
SMILESOC(Cc1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C13H11F3O/c14-13(15,16)12(17)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12,17H,8H2
InChIKeyXOFZODPYQPCISR-UHFFFAOYSA-N
MW240.22 g/mol
LogP3.31
Rot. Bonds2

About 1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol

1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol (PubChem CID 62963158) has the molecular formula C13H11F3O and a molecular weight of 240.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
PubChem CID62963158
Molecular FormulaC13H11F3O
Molecular Weight240.22 g/mol
Exact Mass240.08
IUPAC Name1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
SMILESOC(Cc1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C13H11F3O/c14-13(15,16)12(17)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12,17H,8H2
InChIKeyXOFZODPYQPCISR-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-naphthalen-1-ylethanol
CID 54087449
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
1-[5-(2-hydroxy-3,3-dimethylbutyl)naphthalen-1-yl]-3,3-dimethylbutan-2-ol
CID 139893720
1-(3-chlorophenyl)-3-naphthalen-1-ylpropan-2-ol
CID 62608540
5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
CID 105091563
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
1-(dimethylamino)-3-naphthalen-1-ylpropan-2-ol
CID 79088048
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
N-(naphthalen-1-ylmethyl)thiohydroxylamine
CID 130243841
1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745
1-(2-chloropropyl)naphthalene
CID 12809422

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol (CID 62963158) is 1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol is OC(Cc1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol?
The InChIKey is XOFZODPYQPCISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O/c14-13(15,16)12(17)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12,17H,8H2.
What are the key properties of 1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol?
1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol has a molecular weight of 240.22 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol is sourced from PubChem (CID 62963158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).