4-(difluoromethoxy)-3-fluorobenzamide

C8H6F3NO2 — CID 90825397

IUPAC4-(difluoromethoxy)-3-fluorobenzamide
SMILESNC(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C8H6F3NO2/c9-5-3-4(7(12)13)1-2-6(5)14-8(10)11/h1-3,8H,(H2,12,13)
InChIKeyYXDNRRJJUOOIMP-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.53
Rot. Bonds3

About 4-(difluoromethoxy)-3-fluorobenzamide

4-(difluoromethoxy)-3-fluorobenzamide (PubChem CID 90825397) has the molecular formula C8H6F3NO2 and a molecular weight of 205.14 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluorobenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluorobenzamide
PubChem CID90825397
Molecular FormulaC8H6F3NO2
Molecular Weight205.14 g/mol
Exact Mass205.04
IUPAC Name4-(difluoromethoxy)-3-fluorobenzamide
SMILESNC(=O)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C8H6F3NO2/c9-5-3-4(7(12)13)1-2-6(5)14-8(10)11/h1-3,8H,(H2,12,13)
InChIKeyYXDNRRJJUOOIMP-UHFFFAOYSA-N
XLogP1.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
4-(difluoromethoxy)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 107666402
4-[bis(4-fluorophenyl)methoxy]-3-fluorobenzamide
CID 70810815
4-(difluoromethoxy)-3-fluoro-N-methylbenzamide
CID 126769270
3-bromo-1-[4-(difluoromethoxy)-3-fluorophenyl]propan-1-one
CID 134625396
4-butoxy-3-(difluoromethoxy)benzamide
CID 175773492
3-butoxy-4-(difluoromethoxy)benzamide
CID 90005400
4-(difluoromethoxy)-3-propan-2-yloxybenzamide;methyl acetate
CID 175553147
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate
CID 175535923
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluorobenzamide?
The IUPAC name of 4-(difluoromethoxy)-3-fluorobenzamide (CID 90825397) is 4-(difluoromethoxy)-3-fluorobenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluorobenzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-fluorobenzamide is NC(=O)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-fluorobenzamide?
The InChIKey is YXDNRRJJUOOIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c9-5-3-4(7(12)13)1-2-6(5)14-8(10)11/h1-3,8H,(H2,12,13).
What are the key properties of 4-(difluoromethoxy)-3-fluorobenzamide?
4-(difluoromethoxy)-3-fluorobenzamide has a molecular weight of 205.14 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluorobenzamide is sourced from PubChem (CID 90825397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).