(2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol

C14H13F3O — CID 102382266

IUPAC(2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol
SMILESCc1ccc2cc([C@@](C)(O)C(F)(F)F)ccc2c1
InChIInChI=1S/C14H13F3O/c1-9-3-4-11-8-12(6-5-10(11)7-9)13(2,18)14(15,16)17/h3-8,18H,1-2H3/t13-/m1/s1
InChIKeyYZIYJAPUGZJRHT-CYBMUJFWSA-N
MW254.25 g/mol
LogP3.92
Rot. Bonds1

About (2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol

(2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol (PubChem CID 102382266) has the molecular formula C14H13F3O and a molecular weight of 254.25 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol
PubChem CID102382266
Molecular FormulaC14H13F3O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name(2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol
SMILESCc1ccc2cc([C@@](C)(O)C(F)(F)F)ccc2c1
InChIInChI=1S/C14H13F3O/c1-9-3-4-11-8-12(6-5-10(11)7-9)13(2,18)14(15,16)17/h3-8,18H,1-2H3/t13-/m1/s1
InChIKeyYZIYJAPUGZJRHT-CYBMUJFWSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Naphthalenemethanol
CID 20908
9-Anthracenemethanol
CID 73848
2-Naphthalenemethanol
CID 74128
Bay 27-9955
CID 5311277
alpha-Ethyl-alpha-phenyl-3-(trifluoromethyl)benzenemethanol
CID 41870
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
1-(1-Pyrenyl)ethanol
CID 119118
Alpha,alpha-diphenyl-1-naphthalenemethanol
CID 238209
CD4528
CID 59263691
4,4'-bis[2-Hydroxyhexafluoroisopropyl]diphenyl
CID 137469
Diphenyl(trifluoromethyl)carbinol
CID 238346
Phenanthren-4-methanol
CID 89868

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol (CID 102382266) is (2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol is Cc1ccc2cc([C@@](C)(O)C(F)(F)F)ccc2c1.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol?
The InChIKey is YZIYJAPUGZJRHT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H13F3O/c1-9-3-4-11-8-12(6-5-10(11)7-9)13(2,18)14(15,16)17/h3-8,18H,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol?
(2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol has a molecular weight of 254.25 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-(6-methylnaphthalen-2-yl)propan-2-ol is sourced from PubChem (CID 102382266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).