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

C9H9F2NO2 — CID 168653985

IUPACN-[3-(2,2-difluoroethoxy)phenyl]formamide
SMILESO=CNc1cccc(OCC(F)F)c1
InChIInChI=1S/C9H9F2NO2/c10-9(11)5-14-8-3-1-2-7(4-8)12-6-13/h1-4,6,9H,5H2,(H,12,13)
InChIKeyPEUHGPQWPGGJHH-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.90
Rot. Bonds5

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

N-[3-(2,2-difluoroethoxy)phenyl]formamide (PubChem CID 168653985) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethoxy)phenyl]formamide
PubChem CID168653985
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC NameN-[3-(2,2-difluoroethoxy)phenyl]formamide
SMILESO=CNc1cccc(OCC(F)F)c1
InChIInChI=1S/C9H9F2NO2/c10-9(11)5-14-8-3-1-2-7(4-8)12-6-13/h1-4,6,9H,5H2,(H,12,13)
InChIKeyPEUHGPQWPGGJHH-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.90
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-(2,2,2-trifluoroethoxy)phenyl]formamide
CID 168653348
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
N-[2-bromo-3-(2,2-difluoroethoxy)phenyl]formamide
CID 168653329
N-(3-pyridin-2-yloxyphenyl)formamide
CID 91518983
1-[3-(2,2-difluoroethoxy)phenyl]-N-methylmethanamine
CID 60922910
N-[3-(2,2-difluoroethoxy)phenyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422007
2-[3-(2,2-difluoroethoxy)phenyl]propanedioic acid
CID 151482458
1-(2,2-difluoroethoxy)-3-propylbenzene
CID 163241984
1-[3-(2,2-difluoroethoxy)phenyl]ethanamine;hydrochloride
CID 131801467
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-ethyl-2-(3-formamidophenoxy)-N-(thiophen-3-ylmethyl)acetamide
CID 86203067

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethoxy)phenyl]formamide?
The IUPAC name of N-[3-(2,2-difluoroethoxy)phenyl]formamide (CID 168653985) is N-[3-(2,2-difluoroethoxy)phenyl]formamide.
What is the SMILES notation for N-[3-(2,2-difluoroethoxy)phenyl]formamide?
The canonical SMILES for N-[3-(2,2-difluoroethoxy)phenyl]formamide is O=CNc1cccc(OCC(F)F)c1.
What is the InChIKey of N-[3-(2,2-difluoroethoxy)phenyl]formamide?
The InChIKey is PEUHGPQWPGGJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-9(11)5-14-8-3-1-2-7(4-8)12-6-13/h1-4,6,9H,5H2,(H,12,13).
What are the key properties of N-[3-(2,2-difluoroethoxy)phenyl]formamide?
N-[3-(2,2-difluoroethoxy)phenyl]formamide has a molecular weight of 201.17 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethoxy)phenyl]formamide is sourced from PubChem (CID 168653985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).