[2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite

C8H11F4O3S- — CID 154047315

IUPAC[2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite
SMILESO=S([O-])OC1(CC(F)(F)F)CCCCC1F
InChIInChI=1S/C8H12F4O3S/c9-6-3-1-2-4-7(6,15-16(13)14)5-8(10,11)12/h6H,1-5H2,(H,13,14)/p-1
InChIKeyMYIDXDRHOLGASP-UHFFFAOYSA-M
MW263.23 g/mol
LogP2.40
Rot. Bonds3

About [2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite

[2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite (PubChem CID 154047315) has the molecular formula C8H11F4O3S- and a molecular weight of 263.23 g/mol. Its IUPAC name is [2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite.

Molecular Properties

Compound Name[2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite
PubChem CID154047315
Molecular FormulaC8H11F4O3S-
Molecular Weight263.23 g/mol
Exact Mass263.04
IUPAC Name[2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite
SMILESO=S([O-])OC1(CC(F)(F)F)CCCCC1F
InChIInChI=1S/C8H12F4O3S/c9-6-3-1-2-4-7(6,15-16(13)14)5-8(10,11)12/h6H,1-5H2,(H,13,14)/p-1
InChIKeyMYIDXDRHOLGASP-UHFFFAOYSA-M
XLogP2.40
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-ethyl-2-fluorocyclohexyl) hydrogen sulfate
CID 87625055
[2-ethyl-1-(2,2,2-trifluoroethyl)cyclohexyl]-dioxido-oxo-λ5-phosphane
CID 154078614
7-(2,2,2-trifluoroethyl)bicyclo[4.1.0]heptan-7-amine
CID 79331490
[1,2-bis(2,2,2-trifluoroethyl)cyclohexyl]phosphonic acid
CID 87155145
1-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 82413873
1-(2,2,2-trifluoroethyl)cyclooctan-1-amine
CID 130515486
3-fluoro-1-[[3-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl]disulfanyl]-1-(2,2,2-trifluoroethyl)cyclohexane
CID 87625053
(4-fluoro-2-methylcyclohexyl)methyl sulfite
CID 174303038
3-methyl-1-(2,2,2-trifluoroethyl)cyclohexane-1-carbaldehyde
CID 131142601
[(2S)-1-(cyclohexylamino)propan-2-yl] sulfite
CID 174687720
1-amino-2-fluorocyclohexan-1-ol
CID 172807708
cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane
CID 14433721

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite?
The IUPAC name of [2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite (CID 154047315) is [2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite.
What is the SMILES notation for [2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite?
The canonical SMILES for [2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite is O=S([O-])OC1(CC(F)(F)F)CCCCC1F.
What is the InChIKey of [2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite?
The InChIKey is MYIDXDRHOLGASP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12F4O3S/c9-6-3-1-2-4-7(6,15-16(13)14)5-8(10,11)12/h6H,1-5H2,(H,13,14)/p-1.
What are the key properties of [2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite?
[2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite has a molecular weight of 263.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-1-(2,2,2-trifluoroethyl)cyclohexyl] sulfite is sourced from PubChem (CID 154047315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).