N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide

C4H6F3NO2 — CID 173056201

IUPACN-(1-hydroxyethyl)-N-(trifluoromethyl)formamide
SMILESCC(O)N(C=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-3(10)8(2-9)4(5,6)7/h2-3,10H,1H3
InChIKeyZAGUFSDIVDIKDB-UHFFFAOYSA-N
MW157.09 g/mol
LogP0.30
Rot. Bonds2

About N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide

N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide (PubChem CID 173056201) has the molecular formula C4H6F3NO2 and a molecular weight of 157.09 g/mol. Its IUPAC name is N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)-N-(trifluoromethyl)formamide
PubChem CID173056201
Molecular FormulaC4H6F3NO2
Molecular Weight157.09 g/mol
Exact Mass157.04
IUPAC NameN-(1-hydroxyethyl)-N-(trifluoromethyl)formamide
SMILESCC(O)N(C=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO2/c1-3(10)8(2-9)4(5,6)7/h2-3,10H,1H3
InChIKeyZAGUFSDIVDIKDB-UHFFFAOYSA-N
XLogP0.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.09
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-Formyl-N-methylaminoethanol
CID 20551264
N,N-dimethylformamide;2,2,2-trifluoroethanol
CID 22417525
N-Methyl-N-trifluoroacetylaminoethanol
CID 86752689
2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide
CID 87286137
N-(difluoromethyl)-N-(2-hydroxyethyl)formamide
CID 87322028
N-(2-hydroxyethyl)-N-(trifluoromethyl)formamide
CID 87322422
N-(1-hydroxypropyl)-N-(trifluoromethyl)formamide
CID 173056079
N-(difluoromethyl)-N-(1-hydroxyethyl)formamide
CID 173056141
N-(difluoromethyl)-N-(1-hydroxypropyl)formamide
CID 173056152
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)formamide
CID 64992314
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)formamide
CID 107483051
N-(1-hydroxyethyl)-N-(hydroxymethyl)formamide
CID 57279662

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide?
The IUPAC name of N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide (CID 173056201) is N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide.
What is the SMILES notation for N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide?
The canonical SMILES for N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide is CC(O)N(C=O)C(F)(F)F.
What is the InChIKey of N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide?
The InChIKey is ZAGUFSDIVDIKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2/c1-3(10)8(2-9)4(5,6)7/h2-3,10H,1H3.
What are the key properties of N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide?
N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide has a molecular weight of 157.09 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide is sourced from PubChem (CID 173056201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).