N-(2,2-difluorocyclopropyl)-N-methylformamide

C5H7F2NO — CID 175155038

IUPACN-(2,2-difluorocyclopropyl)-N-methylformamide
SMILESCN(C=O)C1CC1(F)F
InChIInChI=1S/C5H7F2NO/c1-8(3-9)4-2-5(4,6)7/h3-4H,2H2,1H3
InChIKeyUHKRFYQLCSDPDO-UHFFFAOYSA-N
MW135.11 g/mol
LogP0.48
Rot. Bonds2

About N-(2,2-difluorocyclopropyl)-N-methylformamide

N-(2,2-difluorocyclopropyl)-N-methylformamide (PubChem CID 175155038) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is N-(2,2-difluorocyclopropyl)-N-methylformamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclopropyl)-N-methylformamide
PubChem CID175155038
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC NameN-(2,2-difluorocyclopropyl)-N-methylformamide
SMILESCN(C=O)C1CC1(F)F
InChIInChI=1S/C5H7F2NO/c1-8(3-9)4-2-5(4,6)7/h3-4H,2H2,1H3
InChIKeyUHKRFYQLCSDPDO-UHFFFAOYSA-N
XLogP0.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.48
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-(difluoromethyl)-N-propan-2-ylformamide
CID 56620564
N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide
CID 64992143
N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide
CID 64992200
N-methyl-N-(3,3,3-trifluoropropyl)formamide
CID 65545886
N-propyl-N-(trifluoromethyl)formamide
CID 87321400
N-butan-2-yl-N-(trifluoromethyl)formamide
CID 87321578
N-butan-2-yl-N-(difluoromethyl)formamide
CID 87322123
N-(difluoromethyl)-N-propylformamide
CID 87322441
N-propan-2-yl-N-(trifluoromethyl)formamide
CID 91282658
N-(2,2-difluoroethyl)-N-propan-2-ylformamide
CID 127008222
N-methyl-N-[1-(trifluoromethyl)cyclopropyl]formamide
CID 141350813
N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide
CID 145203970

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopropyl)-N-methylformamide?
The IUPAC name of N-(2,2-difluorocyclopropyl)-N-methylformamide (CID 175155038) is N-(2,2-difluorocyclopropyl)-N-methylformamide.
What is the SMILES notation for N-(2,2-difluorocyclopropyl)-N-methylformamide?
The canonical SMILES for N-(2,2-difluorocyclopropyl)-N-methylformamide is CN(C=O)C1CC1(F)F.
What is the InChIKey of N-(2,2-difluorocyclopropyl)-N-methylformamide?
The InChIKey is UHKRFYQLCSDPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c1-8(3-9)4-2-5(4,6)7/h3-4H,2H2,1H3.
What are the key properties of N-(2,2-difluorocyclopropyl)-N-methylformamide?
N-(2,2-difluorocyclopropyl)-N-methylformamide has a molecular weight of 135.11 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopropyl)-N-methylformamide is sourced from PubChem (CID 175155038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).