5-(trifluoromethyl)naphthalen-1-ol

C11H7F3O — CID 90487530

IUPAC5-(trifluoromethyl)naphthalen-1-ol
SMILESOc1cccc2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H7F3O/c12-11(13,14)9-5-1-4-8-7(9)3-2-6-10(8)15/h1-6,15H
InChIKeyFMBRTICAUKAYBY-UHFFFAOYSA-N
MW212.17 g/mol
LogP3.56
Rot. Bonds

About 5-(trifluoromethyl)naphthalen-1-ol

5-(trifluoromethyl)naphthalen-1-ol (PubChem CID 90487530) has the molecular formula C11H7F3O and a molecular weight of 212.17 g/mol. Its IUPAC name is 5-(trifluoromethyl)naphthalen-1-ol.

Molecular Properties

Compound Name5-(trifluoromethyl)naphthalen-1-ol
PubChem CID90487530
Molecular FormulaC11H7F3O
Molecular Weight212.17 g/mol
Exact Mass212.04
IUPAC Name5-(trifluoromethyl)naphthalen-1-ol
SMILESOc1cccc2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H7F3O/c12-11(13,14)9-5-1-4-8-7(9)3-2-6-10(8)15/h1-6,15H
InChIKeyFMBRTICAUKAYBY-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
2-(trifluoromethyl)phenol
CID 162212145
1-methyl-7-(trifluoromethyl)chrysene
CID 58362219
ethane;2-(trifluoromethyl)phenol
CID 142291947
1-[5-(trifluoromethyl)naphthalen-1-yl]propan-2-one
CID 69366475
formaldehyde;naphthalene-1,5-diol
CID 21419428
2-hydrazinyl-3-(trifluoromethyl)phenol
CID 131057734
3,5-bis(trifluoromethyl)naphthalene-1-carboxylic acid
CID 142668987
2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol
CID 57017238
2-[5-(trifluoromethyl)naphthalen-1-yl]acetonitrile
CID 118836007
2-methyl-6-(trifluoromethyl)phenol
CID 14672062
2-amino-6-(trifluoromethyl)phenol
CID 22272746

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)naphthalen-1-ol?
The IUPAC name of 5-(trifluoromethyl)naphthalen-1-ol (CID 90487530) is 5-(trifluoromethyl)naphthalen-1-ol.
What is the SMILES notation for 5-(trifluoromethyl)naphthalen-1-ol?
The canonical SMILES for 5-(trifluoromethyl)naphthalen-1-ol is Oc1cccc2c(C(F)(F)F)cccc12.
What is the InChIKey of 5-(trifluoromethyl)naphthalen-1-ol?
The InChIKey is FMBRTICAUKAYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O/c12-11(13,14)9-5-1-4-8-7(9)3-2-6-10(8)15/h1-6,15H.
What are the key properties of 5-(trifluoromethyl)naphthalen-1-ol?
5-(trifluoromethyl)naphthalen-1-ol has a molecular weight of 212.17 g/mol, XLogP of 3.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)naphthalen-1-ol is sourced from PubChem (CID 90487530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).