1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine

C7H13F2NO — CID 66999978

IUPAC1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine
SMILESCN(C)C(F)(F)C1CCOC1
InChIInChI=1S/C7H13F2NO/c1-10(2)7(8,9)6-3-4-11-5-6/h6H,3-5H2,1-2H3
InChIKeyNJRJWDXBTYYSLE-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.18
Rot. Bonds2

About 1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine

1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine (PubChem CID 66999978) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine
PubChem CID66999978
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine
SMILESCN(C)C(F)(F)C1CCOC1
InChIInChI=1S/C7H13F2NO/c1-10(2)7(8,9)6-3-4-11-5-6/h6H,3-5H2,1-2H3
InChIKeyNJRJWDXBTYYSLE-UHFFFAOYSA-N
XLogP1.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine (CID 66999978) is 1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine is CN(C)C(F)(F)C1CCOC1.
What is the InChIKey of 1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine?
The InChIKey is NJRJWDXBTYYSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10(2)7(8,9)6-3-4-11-5-6/h6H,3-5H2,1-2H3.
What are the key properties of 1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine?
1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine has a molecular weight of 165.18 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 66999978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).