(4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane

C12H19F3S — CID 141200509

IUPAC(4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane
SMILESCC(C)(C)c1ccc(S(C)(C)(F)(F)F)cc1
InChIInChI=1S/C12H19F3S/c1-12(2,3)10-6-8-11(9-7-10)16(4,5,13,14)15/h6-9H,1-5H3
InChIKeyOGPFSJNVEPWIAG-UHFFFAOYSA-N
MW252.34 g/mol
LogP5.13
Rot. Bonds1

About (4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane

(4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane (PubChem CID 141200509) has the molecular formula C12H19F3S and a molecular weight of 252.34 g/mol. Its IUPAC name is (4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane.

Molecular Properties

Compound Name(4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane
PubChem CID141200509
Molecular FormulaC12H19F3S
Molecular Weight252.34 g/mol
Exact Mass252.12
IUPAC Name(4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane
SMILESCC(C)(C)c1ccc(S(C)(C)(F)(F)F)cc1
InChIInChI=1S/C12H19F3S/c1-12(2,3)10-6-8-11(9-7-10)16(4,5,13,14)15/h6-9H,1-5H3
InChIKeyOGPFSJNVEPWIAG-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.34
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-4-methylbenzene
CID 163486601
1,4-ditert-butylbenzene;bis(2,2-dimethylpropane);ethane
CID 162101087
(4-tert-butylphenyl)-bis(ethoxymethyl)-trifluoro-λ6-sulfane
CID 141200503
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
2-[4-(pentafluoro-λ6-sulfanyl)phenyl]propan-2-amine
CID 118201808
tris(4-tert-butylphenyl)alumane
CID 159922072
tris(4-tert-butylphenyl)gallane
CID 71443568
N,4-ditert-butyl-N-(4-tert-butylphenyl)aniline
CID 90222675
1-tert-butyl-4-[2-(4-tert-butylphenyl)-1,2-difluoroethyl]benzene
CID 58671895
1-tert-butyl-4-methylbenzene;dibromozinc
CID 174651577
(4-tert-butylphenyl)alumane
CID 174308515
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane?
The IUPAC name of (4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane (CID 141200509) is (4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane.
What is the SMILES notation for (4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane?
The canonical SMILES for (4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane is CC(C)(C)c1ccc(S(C)(C)(F)(F)F)cc1.
What is the InChIKey of (4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane?
The InChIKey is OGPFSJNVEPWIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3S/c1-12(2,3)10-6-8-11(9-7-10)16(4,5,13,14)15/h6-9H,1-5H3.
What are the key properties of (4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane?
(4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane has a molecular weight of 252.34 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-trifluoro-dimethyl-λ6-sulfane is sourced from PubChem (CID 141200509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).