1-fluoro-2-[fluoromethyl(sulfino)amino]ethane

C3H7F2NO2S — CID 174927119

IUPAC1-fluoro-2-[fluoromethyl(sulfino)amino]ethane
SMILESO=S(O)N(CF)CCF
InChIInChI=1S/C3H7F2NO2S/c4-1-2-6(3-5)9(7)8/h1-3H2,(H,7,8)
InChIKeySIJQPGWJCVOOSR-UHFFFAOYSA-N
MW159.16 g/mol
LogP0.32
Rot. Bonds4

About 1-fluoro-2-[fluoromethyl(sulfino)amino]ethane

1-fluoro-2-[fluoromethyl(sulfino)amino]ethane (PubChem CID 174927119) has the molecular formula C3H7F2NO2S and a molecular weight of 159.16 g/mol. Its IUPAC name is 1-fluoro-2-[fluoromethyl(sulfino)amino]ethane.

Molecular Properties

Compound Name1-fluoro-2-[fluoromethyl(sulfino)amino]ethane
PubChem CID174927119
Molecular FormulaC3H7F2NO2S
Molecular Weight159.16 g/mol
Exact Mass159.02
IUPAC Name1-fluoro-2-[fluoromethyl(sulfino)amino]ethane
SMILESO=S(O)N(CF)CCF
InChIInChI=1S/C3H7F2NO2S/c4-1-2-6(3-5)9(7)8/h1-3H2,(H,7,8)
InChIKeySIJQPGWJCVOOSR-UHFFFAOYSA-N
XLogP0.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[fluoromethyl(sulfino)amino]ethane?
The IUPAC name of 1-fluoro-2-[fluoromethyl(sulfino)amino]ethane (CID 174927119) is 1-fluoro-2-[fluoromethyl(sulfino)amino]ethane.
What is the SMILES notation for 1-fluoro-2-[fluoromethyl(sulfino)amino]ethane?
The canonical SMILES for 1-fluoro-2-[fluoromethyl(sulfino)amino]ethane is O=S(O)N(CF)CCF.
What is the InChIKey of 1-fluoro-2-[fluoromethyl(sulfino)amino]ethane?
The InChIKey is SIJQPGWJCVOOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO2S/c4-1-2-6(3-5)9(7)8/h1-3H2,(H,7,8).
What are the key properties of 1-fluoro-2-[fluoromethyl(sulfino)amino]ethane?
1-fluoro-2-[fluoromethyl(sulfino)amino]ethane has a molecular weight of 159.16 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[fluoromethyl(sulfino)amino]ethane is sourced from PubChem (CID 174927119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).