(3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite

C9H8F4O3S — CID 87155521

IUPAC(3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCc1cccc(F)c1)OCC(F)(F)F
InChIInChI=1S/C9H8F4O3S/c10-8-3-1-2-7(4-8)5-15-17(14)16-6-9(11,12)13/h1-4H,5-6H2
InChIKeyOZGZFNLGWPYMBA-UHFFFAOYSA-N
MW272.22 g/mol
LogP2.50
Rot. Bonds5

About (3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite

(3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite (PubChem CID 87155521) has the molecular formula C9H8F4O3S and a molecular weight of 272.22 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite
PubChem CID87155521
Molecular FormulaC9H8F4O3S
Molecular Weight272.22 g/mol
Exact Mass272.01
IUPAC Name(3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite
SMILESO=S(OCc1cccc(F)c1)OCC(F)(F)F
InChIInChI=1S/C9H8F4O3S/c10-8-3-1-2-7(4-8)5-15-17(14)16-6-9(11,12)13/h1-4H,5-6H2
InChIKeyOZGZFNLGWPYMBA-UHFFFAOYSA-N
XLogP2.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 87305693
1-[(3-fluorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
CID 47022782
(3,5-difluorophenyl) 2,2,2-trifluoroethyl sulfite
CID 87154895
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
(1R)-2,2,2-trifluoro-1-[3-[(3-fluorophenyl)methoxy]phenyl]ethanamine
CID 66512164
1-fluoro-3-(phenylmethoxymethylsulfinyl)benzene
CID 102940814
2-[(3-fluorophenyl)methyl]-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 61490337
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
5-tert-butyl-2-[[(S)-(3-fluorophenyl)methylsulfinyl]methyl]-1,3-dimethylbenzene
CID 52504953
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
diethyl (3-fluorophenyl)methyl phosphate
CID 68974246

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite?
The IUPAC name of (3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite (CID 87155521) is (3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite.
What is the SMILES notation for (3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite?
The canonical SMILES for (3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite is O=S(OCc1cccc(F)c1)OCC(F)(F)F.
What is the InChIKey of (3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite?
The InChIKey is OZGZFNLGWPYMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O3S/c10-8-3-1-2-7(4-8)5-15-17(14)16-6-9(11,12)13/h1-4H,5-6H2.
What are the key properties of (3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite?
(3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite has a molecular weight of 272.22 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 2,2,2-trifluoroethyl sulfite is sourced from PubChem (CID 87155521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).