1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine

C7H12F2N2O — CID 176568322

IUPAC1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(CN=O)CC1(F)F
InChIInChI=1S/C7H12F2N2O/c1-11(2)5-6(4-10-12)3-7(6,8)9/h3-5H2,1-2H3
InChIKeyQZJQPIPUMIVVON-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.34
Rot. Bonds4

About 1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine

1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine (PubChem CID 176568322) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is 1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine
PubChem CID176568322
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Name1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1(CN=O)CC1(F)F
InChIInChI=1S/C7H12F2N2O/c1-11(2)5-6(4-10-12)3-7(6,8)9/h3-5H2,1-2H3
InChIKeyQZJQPIPUMIVVON-UHFFFAOYSA-N
XLogP1.34
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine (CID 176568322) is 1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine is CN(C)CC1(CN=O)CC1(F)F.
What is the InChIKey of 1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine?
The InChIKey is QZJQPIPUMIVVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-11(2)5-6(4-10-12)3-7(6,8)9/h3-5H2,1-2H3.
What are the key properties of 1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine?
1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine has a molecular weight of 178.18 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-1-(nitrosomethyl)cyclopropyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 176568322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).