(5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane

C6H9F3S2 — CID 170710567

IUPAC(5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane
SMILESCC1(C)C[C@H](C(F)(F)F)SS1
InChIInChI=1S/C6H9F3S2/c1-5(2)3-4(10-11-5)6(7,8)9/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyXGFNBPCGQLQQJI-SCSAIBSYSA-N
MW202.27 g/mol
LogP3.48
Rot. Bonds

About (5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane

(5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane (PubChem CID 170710567) has the molecular formula C6H9F3S2 and a molecular weight of 202.27 g/mol. Its IUPAC name is (5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane.

Molecular Properties

Compound Name(5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane
PubChem CID170710567
Molecular FormulaC6H9F3S2
Molecular Weight202.27 g/mol
Exact Mass202.01
IUPAC Name(5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane
SMILESCC1(C)C[C@H](C(F)(F)F)SS1
InChIInChI=1S/C6H9F3S2/c1-5(2)3-4(10-11-5)6(7,8)9/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyXGFNBPCGQLQQJI-SCSAIBSYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

3,3,6-trimethyldithiane
CID 142951856
2-[(Z)-1-chloro-3,3,4,4,4-pentafluorobut-1-enyl]-1,1-dimethylcyclopropane
CID 88740562
5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide
CID 175998228
4-methoxy-3,3-dimethyl-5,5-bis(trifluoromethyl)dithiolane
CID 167155400
2,3-dimethyl-5-(trifluoromethyl)-1,3-thiazolidine
CID 123476501
3,3,3-trifluoro-2-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanoic acid
CID 69302699
3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 161059263
(4R,5S)-3,3,5-trimethyldithiolan-4-ol
CID 170710497
1,1,1,3,3,3-hexafluoro-2-(3-methyl-1-adamantyl)propan-2-ol
CID 59460064
3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one
CID 11095248
(2S)-2-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1,1-dimethylcyclopropane
CID 141315541
methyl 4,4-difluoro-2-(trifluoromethyl)cyclopentane-1-carboxylate
CID 167239486

Frequently Asked Questions

What is the IUPAC name of (5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane?
The IUPAC name of (5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane (CID 170710567) is (5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane.
What is the SMILES notation for (5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane?
The canonical SMILES for (5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane is CC1(C)C[C@H](C(F)(F)F)SS1.
What is the InChIKey of (5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane?
The InChIKey is XGFNBPCGQLQQJI-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9F3S2/c1-5(2)3-4(10-11-5)6(7,8)9/h4H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane?
(5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane has a molecular weight of 202.27 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,3-dimethyl-5-(trifluoromethyl)dithiolane is sourced from PubChem (CID 170710567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).