N-(difluoromethyl)-N-propan-2-ylformamide

C5H9F2NO — CID 56620564

IUPACN-(difluoromethyl)-N-propan-2-ylformamide
SMILESCC(C)N(C=O)C(F)F
InChIInChI=1S/C5H9F2NO/c1-4(2)8(3-9)5(6)7/h3-5H,1-2H3
InChIKeyKSHDOEYVNZEILQ-UHFFFAOYSA-N
MW137.13 g/mol
LogP1.08
Rot. Bonds3

About N-(difluoromethyl)-N-propan-2-ylformamide

N-(difluoromethyl)-N-propan-2-ylformamide (PubChem CID 56620564) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is N-(difluoromethyl)-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-propan-2-ylformamide
PubChem CID56620564
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC NameN-(difluoromethyl)-N-propan-2-ylformamide
SMILESCC(C)N(C=O)C(F)F
InChIInChI=1S/C5H9F2NO/c1-4(2)8(3-9)5(6)7/h3-5H,1-2H3
InChIKeyKSHDOEYVNZEILQ-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-propan-2-ylformamide?
The IUPAC name of N-(difluoromethyl)-N-propan-2-ylformamide (CID 56620564) is N-(difluoromethyl)-N-propan-2-ylformamide.
What is the SMILES notation for N-(difluoromethyl)-N-propan-2-ylformamide?
The canonical SMILES for N-(difluoromethyl)-N-propan-2-ylformamide is CC(C)N(C=O)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-propan-2-ylformamide?
The InChIKey is KSHDOEYVNZEILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-4(2)8(3-9)5(6)7/h3-5H,1-2H3.
What are the key properties of N-(difluoromethyl)-N-propan-2-ylformamide?
N-(difluoromethyl)-N-propan-2-ylformamide has a molecular weight of 137.13 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-propan-2-ylformamide is sourced from PubChem (CID 56620564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).