(1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol

C27H31F3O2S — CID 101389360

IUPAC(1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol
SMILESCC(C)c1cc(C(C)C)c(S(=O)c2c([C@@H](O)C(F)(F)F)ccc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C27H31F3O2S/c1-15(2)19-13-22(16(3)4)25(23(14-19)17(5)6)33(32)24-20-10-8-7-9-18(20)11-12-21(24)26(31)27(28,29)30/h7-17,26,31H,1-6H3/t26-,33?/m1/s1
InChIKeySJAWVFLZEHCBJA-UOQVMRJOSA-N
MW476.60 g/mol
LogP7.97
Rot. Bonds6

About (1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol

(1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol (PubChem CID 101389360) has the molecular formula C27H31F3O2S and a molecular weight of 476.60 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol
PubChem CID101389360
Molecular FormulaC27H31F3O2S
Molecular Weight476.60 g/mol
Exact Mass476.20
IUPAC Name(1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol
SMILESCC(C)c1cc(C(C)C)c(S(=O)c2c([C@@H](O)C(F)(F)F)ccc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C27H31F3O2S/c1-15(2)19-13-22(16(3)4)25(23(14-19)17(5)6)33(32)24-20-10-8-7-9-18(20)11-12-21(24)26(31)27(28,29)30/h7-17,26,31H,1-6H3/t26-,33?/m1/s1
InChIKeySJAWVFLZEHCBJA-UOQVMRJOSA-N
XLogP7.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.60
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol with MolForge

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Related Compounds

trimethyl-[(1S)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethoxy]silane
CID 101389355
4-methoxy-N-[(1S)-1-[1-[(R)-[2,4,6-tri(propan-2-yl)phenyl]sulfinyl]naphthalen-2-yl]ethyl]aniline
CID 11226302
N-phenyl-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]methanimine
CID 101191380
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 78954047
S-tert-butyl (3S)-3-hydroxy-3-[1-(2,4,6-trimethylphenyl)sulfinylnaphthalen-2-yl]propanethioate
CID 101085141
(1R)-2,2,2-trifluoro-1-(2-methylnaphthalen-1-yl)ethanol
CID 14810052
2-propan-2-yl-1-(3-propan-2-ylnaphthalen-1-yl)naphthalene
CID 147001683
bis(1,3-di(propan-2-yl)naphthalene);1,4-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene
CID 161209991
(1S)-2,2,2-trifluoro-1-[8-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]anthracen-1-yl]ethanol
CID 91218434
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
(NE,R)-N-benzylidene-2,4,6-tri(propan-2-yl)benzenesulfinamide
CID 46177609
1-(3-bromo-4-phenylmethoxy-5-propan-2-ylphenyl)-2,2,2-trifluoroethanol
CID 72705207

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol (CID 101389360) is (1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol is CC(C)c1cc(C(C)C)c(S(=O)c2c([C@@H](O)C(F)(F)F)ccc3ccccc23)c(C(C)C)c1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol?
The InChIKey is SJAWVFLZEHCBJA-UOQVMRJOSA-N. The full InChI is InChI=1S/C27H31F3O2S/c1-15(2)19-13-22(16(3)4)25(23(14-19)17(5)6)33(32)24-20-10-8-7-9-18(20)11-12-21(24)26(31)27(28,29)30/h7-17,26,31H,1-6H3/t26-,33?/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol?
(1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol has a molecular weight of 476.60 g/mol, XLogP of 7.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-[1-[2,4,6-tri(propan-2-yl)phenyl]sulfinylnaphthalen-2-yl]ethanol is sourced from PubChem (CID 101389360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).