(2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol

C14H13F3O — CID 164670277

IUPAC(2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol
SMILESC[C@](O)(CC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H13F3O/c1-13(18,9-14(15,16)17)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,18H,9H2,1H3/t13-/m0/s1
InChIKeyLKCPENVRVZGSGX-ZDUSSCGKSA-N
MW254.25 g/mol
LogP4.00
Rot. Bonds2

About (2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol

(2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol (PubChem CID 164670277) has the molecular formula C14H13F3O and a molecular weight of 254.25 g/mol. Its IUPAC name is (2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol.

Molecular Properties

Compound Name(2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol
PubChem CID164670277
Molecular FormulaC14H13F3O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name(2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol
SMILESC[C@](O)(CC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H13F3O/c1-13(18,9-14(15,16)17)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,18H,9H2,1H3/t13-/m0/s1
InChIKeyLKCPENVRVZGSGX-ZDUSSCGKSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 54.00
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 (2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol?
The IUPAC name of (2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol (CID 164670277) is (2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol.
What is the SMILES notation for (2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol?
The canonical SMILES for (2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol is C[C@](O)(CC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol?
The InChIKey is LKCPENVRVZGSGX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13F3O/c1-13(18,9-14(15,16)17)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,18H,9H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol?
(2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol has a molecular weight of 254.25 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4,4-trifluoro-2-naphthalen-2-ylbutan-2-ol is sourced from PubChem (CID 164670277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).