difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite

C15H16F11NO2 — CID 123705655

IUPACdifluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite
SMILESC=CCN(C(=O)F)c1ccccc1.FCC(F)(F)F.FCF.FOCC(F)(F)F
InChIInChI=1S/C10H10FNO.C2H2F4O.C2H2F4.CH2F2/c1-2-8-12(10(11)13)9-6-4-3-5-7-9;3-2(4,5)1-7-6;3-1-2(4,5)6;2-1-3/h2-7H,1,8H2;1H2;1H2;1H2
InChIKeyKUPGTGGDJQJJEM-UHFFFAOYSA-N
MW451.28 g/mol
LogP6.62
Rot. Bonds4

About difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite

difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite (PubChem CID 123705655) has the molecular formula C15H16F11NO2 and a molecular weight of 451.28 g/mol. Its IUPAC name is difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite.

Molecular Properties

Compound Namedifluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite
PubChem CID123705655
Molecular FormulaC15H16F11NO2
Molecular Weight451.28 g/mol
Exact Mass451.10
IUPAC Namedifluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite
SMILESC=CCN(C(=O)F)c1ccccc1.FCC(F)(F)F.FCF.FOCC(F)(F)F
InChIInChI=1S/C10H10FNO.C2H2F4O.C2H2F4.CH2F2/c1-2-8-12(10(11)13)9-6-4-3-5-7-9;3-2(4,5)1-7-6;3-1-2(4,5)6;2-1-3/h2-7H,1,8H2;1H2;1H2;1H2
InChIKeyKUPGTGGDJQJJEM-UHFFFAOYSA-N
XLogP6.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.28
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-fluoro-N-phenyl-N-prop-2-enylbenzamide
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CID 78836355
2-chloro-N-phenyl-N-prop-2-enylpropanamide
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N-[(E)-but-2-en-2-yl]-N-prop-2-enylaniline
CID 142821122
N-prop-2-enyl-N-(trifluoromethyl)aniline
CID 19778773
3-(benzenecarbonothioyl)-1-phenyl-1-prop-2-enylurea
CID 2958860
N-ethyl-N-phenyl-N',N'-bis(prop-2-enyl)oxamide
CID 108516722
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4-[N-(2,2,2-trifluoroethoxycarbonyl)anilino]butanoic acid
CID 61170013

Frequently Asked Questions

What is the IUPAC name of difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite?
The IUPAC name of difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite (CID 123705655) is difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite.
What is the SMILES notation for difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite?
The canonical SMILES for difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite is C=CCN(C(=O)F)c1ccccc1.FCC(F)(F)F.FCF.FOCC(F)(F)F.
What is the InChIKey of difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite?
The InChIKey is KUPGTGGDJQJJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO.C2H2F4O.C2H2F4.CH2F2/c1-2-8-12(10(11)13)9-6-4-3-5-7-9;3-2(4,5)1-7-6;3-1-2(4,5)6;2-1-3/h2-7H,1,8H2;1H2;1H2;1H2.
What are the key properties of difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite?
difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite has a molecular weight of 451.28 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;N-phenyl-N-prop-2-enylcarbamoyl fluoride;1,1,1,2-tetrafluoroethane;2,2,2-trifluoroethyl hypofluorite is sourced from PubChem (CID 123705655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).