N-[(2,4-difluorophenyl)methyl]-N-methylformamide

C9H9F2NO — CID 64990427

IUPACN-[(2,4-difluorophenyl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO/c1-12(6-13)5-7-2-3-8(10)4-9(7)11/h2-4,6H,5H2,1H3
InChIKeyKOWCWZDDSMDHNR-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.55
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-N-methylformamide

N-[(2,4-difluorophenyl)methyl]-N-methylformamide (PubChem CID 64990427) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methylformamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methylformamide
PubChem CID64990427
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methylformamide
SMILESCN(C=O)Cc1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO/c1-12(6-13)5-7-2-3-8(10)4-9(7)11/h2-4,6H,5H2,1H3
InChIKeyKOWCWZDDSMDHNR-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
lithium;N-[(2,4-difluorophenyl)methyl]-N-ethylethanamine;ethane
CID 177191035
1-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylmethanesulfonamide
CID 83084049
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
N-[(2,4-difluorophenyl)methyl]-N-methylazetidin-3-amine
CID 66188228
2-cyclopentyl-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 134046668

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methylformamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methylformamide (CID 64990427) is N-[(2,4-difluorophenyl)methyl]-N-methylformamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methylformamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methylformamide is CN(C=O)Cc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methylformamide?
The InChIKey is KOWCWZDDSMDHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-12(6-13)5-7-2-3-8(10)4-9(7)11/h2-4,6H,5H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methylformamide?
N-[(2,4-difluorophenyl)methyl]-N-methylformamide has a molecular weight of 185.17 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methylformamide is sourced from PubChem (CID 64990427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).