N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide

C5H10F2N2 — CID 135233360

IUPACN-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)CC(F)F
InChIInChI=1S/C5H10F2N2/c1-8-4-9(2)3-5(6)7/h4-5H,3H2,1-2H3/b8-4+
InChIKeyNICLZSHFSJTPHX-XBXARRHUSA-N
MW136.14 g/mol
LogP0.84
Rot. Bonds3

About N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide

N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide (PubChem CID 135233360) has the molecular formula C5H10F2N2 and a molecular weight of 136.14 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide
PubChem CID135233360
Molecular FormulaC5H10F2N2
Molecular Weight136.14 g/mol
Exact Mass136.08
IUPAC NameN-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)CC(F)F
InChIInChI=1S/C5H10F2N2/c1-8-4-9(2)3-5(6)7/h4-5H,3H2,1-2H3/b8-4+
InChIKeyNICLZSHFSJTPHX-XBXARRHUSA-N
XLogP0.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide?
The IUPAC name of N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide (CID 135233360) is N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide is C/N=C/N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide?
The InChIKey is NICLZSHFSJTPHX-XBXARRHUSA-N. The full InChI is InChI=1S/C5H10F2N2/c1-8-4-9(2)3-5(6)7/h4-5H,3H2,1-2H3/b8-4+.
What are the key properties of N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide?
N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide has a molecular weight of 136.14 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 135233360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).