2,2,3,3-tetrafluoropropylsulfinylmethylbenzene

C10H10F4OS — CID 4178257

IUPAC2,2,3,3-tetrafluoropropylsulfinylmethylbenzene
SMILESO=S(Cc1ccccc1)CC(F)(F)C(F)F
InChIInChI=1S/C10H10F4OS/c11-9(12)10(13,14)7-16(15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyKIGMDIWZXANGKF-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.84
Rot. Bonds5

About 2,2,3,3-tetrafluoropropylsulfinylmethylbenzene

2,2,3,3-tetrafluoropropylsulfinylmethylbenzene (PubChem CID 4178257) has the molecular formula C10H10F4OS and a molecular weight of 254.25 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropylsulfinylmethylbenzene.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropylsulfinylmethylbenzene
PubChem CID4178257
Molecular FormulaC10H10F4OS
Molecular Weight254.25 g/mol
Exact Mass254.04
IUPAC Name2,2,3,3-tetrafluoropropylsulfinylmethylbenzene
SMILESO=S(Cc1ccccc1)CC(F)(F)C(F)F
InChIInChI=1S/C10H10F4OS/c11-9(12)10(13,14)7-16(15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyKIGMDIWZXANGKF-UHFFFAOYSA-N
XLogP2.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(benzylsulfinylmethyl)-4-chlorobenzene
CID 12907855
1-(benzylsulfinylmethyl)-4-(methylsulfinylmethyl)benzene
CID 139841360
2-(benzylsulfinylmethyl)-3,3,3-trifluoropropanenitrile
CID 103372468
1-(benzyldisulfanyl)-2-(benzylsulfinylmethyl)benzene
CID 134928437
2-[[(R)-benzylsulfinyl]methyl]-5-tert-butyl-1,3-dimethylbenzene
CID 52504942
1-(benzylsulfinylmethyl)-3-chlorobenzene
CID 47022757
2-methylsulfinylethylsulfinylmethylbenzene
CID 139841382
2-[[(S)-benzylsulfinyl]methyl]-1-chloro-3-fluorobenzene
CID 94798093
2,2,3,3-tetrafluoropropane-1-sulfinamide
CID 165461484
N-[2-[(R)-benzylsulfinyl]ethyl]-3,3,3-trifluoropropanamide
CID 97082580
1-[[(S)-benzylsulfinyl]methyl]-3-methoxybenzene
CID 94792829
(3-chloro-2,2,3-trifluoropropyl)benzene
CID 134892808

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropylsulfinylmethylbenzene?
The IUPAC name of 2,2,3,3-tetrafluoropropylsulfinylmethylbenzene (CID 4178257) is 2,2,3,3-tetrafluoropropylsulfinylmethylbenzene.
What is the SMILES notation for 2,2,3,3-tetrafluoropropylsulfinylmethylbenzene?
The canonical SMILES for 2,2,3,3-tetrafluoropropylsulfinylmethylbenzene is O=S(Cc1ccccc1)CC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoropropylsulfinylmethylbenzene?
The InChIKey is KIGMDIWZXANGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4OS/c11-9(12)10(13,14)7-16(15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2,2,3,3-tetrafluoropropylsulfinylmethylbenzene?
2,2,3,3-tetrafluoropropylsulfinylmethylbenzene has a molecular weight of 254.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropylsulfinylmethylbenzene is sourced from PubChem (CID 4178257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).