N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide

C11H11F3N2O2 — CID 178148471

IUPACN-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide
SMILES[H]/N=C(/c1ccc(O)cc1)N(C=O)CCC(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)5-6-16(7-17)10(15)8-1-3-9(18)4-2-8/h1-4,7,15,18H,5-6H2/b15-10-
InChIKeyLAYCXHLNDDVFPJ-GDNBJRDFSA-N
MW260.21 g/mol
LogP2.13
Rot. Bonds4

About N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide

N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide (PubChem CID 178148471) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide.

Molecular Properties

Compound NameN-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide
PubChem CID178148471
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC NameN-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide
SMILES[H]/N=C(/c1ccc(O)cc1)N(C=O)CCC(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)5-6-16(7-17)10(15)8-1-3-9(18)4-2-8/h1-4,7,15,18H,5-6H2/b15-10-
InChIKeyLAYCXHLNDDVFPJ-GDNBJRDFSA-N
XLogP2.13
TPSA64.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Acetamide, 2,2,2-trifluoro-N-[(4-hydroxyphenyl)methyl]-
CID 57656322
N-[3-(5-carbamimidoyl-2-hydroxyphenyl)propyl]-2,2,2-trifluoroacetamide
CID 136473437
2-Fluoro-4-(pyrrolidine-1-carboximidoyl)phenol
CID 136609885
2-(3,5-Difluoro-4-hydroxyphenyl)-5-iminopyrrolidine-1-carboxamide
CID 170593007
N-[3-(5-carbamimidoyl-2-hydroxyphenyl)prop-2-enyl]-2,2,2-trifluoroacetamide
CID 173219371
ethane;N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)acetamide;methanol
CID 178148393
Sodium 1-(4-hydroxybenzenecarboximidoyl)-3-[2-(4-hydroxy-4-methylcyclohexen-1-yl)-2-iminoethyl]-1-(3,3,3-trifluoropropyl)urea
CID 178148927
1-[2-(4-Hydroxyphenyl)-4,5-dihydroimidazol-1-yl]ethanone
CID 139215385
1-[(4-Hydroxyphenyl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 47247873
1-[(4-Hydroxyphenyl)methyl]-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 47252497
3-fluoro-4-hydroxy-N,N-dimethylbenzenecarboximidamide
CID 136810259
N,N-diethyl-3-fluoro-4-hydroxybenzenecarboximidamide
CID 136810260

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide?
The IUPAC name of N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide (CID 178148471) is N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide.
What is the SMILES notation for N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide?
The canonical SMILES for N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide is [H]/N=C(/c1ccc(O)cc1)N(C=O)CCC(F)(F)F.
What is the InChIKey of N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide?
The InChIKey is LAYCXHLNDDVFPJ-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)5-6-16(7-17)10(15)8-1-3-9(18)4-2-8/h1-4,7,15,18H,5-6H2/b15-10-.
What are the key properties of N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide?
N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide has a molecular weight of 260.21 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybenzenecarboximidoyl)-N-(3,3,3-trifluoropropyl)formamide is sourced from PubChem (CID 178148471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).