N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide

C10H11F2NO — CID 64991275

IUPACN-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C=O
InChIInChI=1S/C10H11F2NO/c1-7(13(2)6-14)8-3-4-9(11)10(12)5-8/h3-7H,1-2H3
InChIKeyFSDDOMXTCNXBLB-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.11
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide

N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide (PubChem CID 64991275) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide
PubChem CID64991275
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide
SMILESCC(c1ccc(F)c(F)c1)N(C)C=O
InChIInChI=1S/C10H11F2NO/c1-7(13(2)6-14)8-3-4-9(11)10(12)5-8/h3-7H,1-2H3
InChIKeyFSDDOMXTCNXBLB-UHFFFAOYSA-N
XLogP2.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.11
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-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-N-methylformamide
CID 142360430
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
2-(3,4-difluorophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 63702483
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
1-(3,4-difluorophenyl)-N-methyl-N-(2-methylsulfanylethyl)ethanamine
CID 78837029
4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 80542917
2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 79345147
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
methyl 5-[1-(3,4-difluorophenyl)ethyl-methylcarbamoyl]thiophene-2-carboxylate
CID 134050445

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide (CID 64991275) is N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide is CC(c1ccc(F)c(F)c1)N(C)C=O.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide?
The InChIKey is FSDDOMXTCNXBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-7(13(2)6-14)8-3-4-9(11)10(12)5-8/h3-7H,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide?
N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide has a molecular weight of 199.20 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-N-methylformamide is sourced from PubChem (CID 64991275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).