N-(difluoromethyl)-N-propylformamide

C5H9F2NO — CID 87322441

IUPACN-(difluoromethyl)-N-propylformamide
SMILESCCCN(C=O)C(F)F
InChIInChI=1S/C5H9F2NO/c1-2-3-8(4-9)5(6)7/h4-5H,2-3H2,1H3
InChIKeyARYHXMMRTVLBPI-UHFFFAOYSA-N
MW137.13 g/mol
LogP1.08
Rot. Bonds4

About N-(difluoromethyl)-N-propylformamide

N-(difluoromethyl)-N-propylformamide (PubChem CID 87322441) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is N-(difluoromethyl)-N-propylformamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-propylformamide
PubChem CID87322441
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC NameN-(difluoromethyl)-N-propylformamide
SMILESCCCN(C=O)C(F)F
InChIInChI=1S/C5H9F2NO/c1-2-3-8(4-9)5(6)7/h4-5H,2-3H2,1H3
InChIKeyARYHXMMRTVLBPI-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,3,4,4,4-hexafluorobutyl)-N-methylformamide
CID 17997699
N-methyl-N-(2,2,2-trifluoroethyl)formamide
CID 18715521
N-methyl-N-propylcarbamoyl fluoride
CID 18737102
N-Methyl-N-propylformamide
CID 19070644
N,N-bis(2,3-difluoropropyl)formamide
CID 21311164
N-methyl-N-(4,4,5,5,5-pentafluoropentyl)formamide
CID 53910297
N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide
CID 54251533
N-ethyl-N-(2,2,2-trifluoroethyl)formamide
CID 54553159
N-ethyl-N-(trifluoromethyl)formamide
CID 56616567
N-(difluoromethyl)-N-propan-2-ylformamide
CID 56620564
CID 59886665
CID 59886665
N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide
CID 64992200

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-propylformamide?
The IUPAC name of N-(difluoromethyl)-N-propylformamide (CID 87322441) is N-(difluoromethyl)-N-propylformamide.
What is the SMILES notation for N-(difluoromethyl)-N-propylformamide?
The canonical SMILES for N-(difluoromethyl)-N-propylformamide is CCCN(C=O)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-propylformamide?
The InChIKey is ARYHXMMRTVLBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-2-3-8(4-9)5(6)7/h4-5H,2-3H2,1H3.
What are the key properties of N-(difluoromethyl)-N-propylformamide?
N-(difluoromethyl)-N-propylformamide has a molecular weight of 137.13 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-propylformamide is sourced from PubChem (CID 87322441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).