[3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide

C9H6F4N2O — CID 90187561

IUPAC[3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide
SMILESN#CNc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C9H6F4N2O/c10-8(11)9(12,13)16-7-3-1-2-6(4-7)15-5-14/h1-4,8,15H
InChIKeyXTQKSRRGCYNYFG-UHFFFAOYSA-N
MW234.15 g/mol
LogP2.82
Rot. Bonds4

About [3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide

[3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide (PubChem CID 90187561) has the molecular formula C9H6F4N2O and a molecular weight of 234.15 g/mol. Its IUPAC name is [3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide.

Molecular Properties

Compound Name[3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide
PubChem CID90187561
Molecular FormulaC9H6F4N2O
Molecular Weight234.15 g/mol
Exact Mass234.04
IUPAC Name[3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide
SMILESN#CNc1cccc(OC(F)(F)C(F)F)c1
InChIInChI=1S/C9H6F4N2O/c10-8(11)9(12,13)16-7-3-1-2-6(4-7)15-5-14/h1-4,8,15H
InChIKeyXTQKSRRGCYNYFG-UHFFFAOYSA-N
XLogP2.82
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169
3-[3-(1,1,2,2-tetrafluoroethoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 139713966
N-[(4-aminocyclohexyl)methyl]-3-(1,1,2,2-tetrafluoroethoxy)aniline
CID 59231322
3-[[4,4,4-trifluoro-3-hydroxy-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-2-yl]amino]benzonitrile
CID 87791948
potassium trifluoro-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]boranuide
CID 166000083
cis-(1S,2R)-2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 40535923
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
2,4,6-trinitro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]aniline
CID 12807399
2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 3861332
3-(3-methylphenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline
CID 141062726
2-[3-(cyanoamino)phenoxy]acetic acid
CID 164649245
N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3-thiazolidine-3-carbothioamide
CID 88765778

Frequently Asked Questions

What is the IUPAC name of [3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide?
The IUPAC name of [3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide (CID 90187561) is [3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide.
What is the SMILES notation for [3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide?
The canonical SMILES for [3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide is N#CNc1cccc(OC(F)(F)C(F)F)c1.
What is the InChIKey of [3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide?
The InChIKey is XTQKSRRGCYNYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F4N2O/c10-8(11)9(12,13)16-7-3-1-2-6(4-7)15-5-14/h1-4,8,15H.
What are the key properties of [3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide?
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide has a molecular weight of 234.15 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,2,2-tetrafluoroethoxy)phenyl]cyanamide is sourced from PubChem (CID 90187561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).