N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide

C9H8F3NO2 — CID 168653348

IUPACN-[3-(2,2,2-trifluoroethoxy)phenyl]formamide
SMILESO=CNc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)5-15-8-3-1-2-7(4-8)13-6-14/h1-4,6H,5H2,(H,13,14)
InChIKeyWLBZVSHLWVXPRJ-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.20
Rot. Bonds4

About N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide

N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide (PubChem CID 168653348) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)phenyl]formamide
PubChem CID168653348
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)phenyl]formamide
SMILESO=CNc1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)5-15-8-3-1-2-7(4-8)13-6-14/h1-4,6H,5H2,(H,13,14)
InChIKeyWLBZVSHLWVXPRJ-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxyphenyl)formamide
CID 57236062
N-[3-(2,2-difluoroethoxy)phenyl]formamide
CID 168653985
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339736
1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 47237417
3-(2,2,2-trifluoroethoxy)benzoyl chloride
CID 95928099
4-[3-(2,2,2-trifluoroethoxy)phenyl]benzaldehyde
CID 138857774
N-[2-methyl-5-(2,2,2-trifluoroethoxy)-1-benzofuran-3-yl]formamide
CID 176657215
1-[[3-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 146134415
4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 55654482
4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide (CID 168653348) is N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide is O=CNc1cccc(OCC(F)(F)F)c1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide?
The InChIKey is WLBZVSHLWVXPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)5-15-8-3-1-2-7(4-8)13-6-14/h1-4,6H,5H2,(H,13,14).
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide?
N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide has a molecular weight of 219.16 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide is sourced from PubChem (CID 168653348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).