1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine

C7H13F2NO — CID 57486602

IUPAC1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
SMILESCN(C)C(F)(F)C1CCCO1
InChIInChI=1S/C7H13F2NO/c1-10(2)7(8,9)6-4-3-5-11-6/h6H,3-5H2,1-2H3
InChIKeyIMMHHOQBWQMUCM-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.32
Rot. Bonds2

About 1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine

1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine (PubChem CID 57486602) 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-2-yl)methanamine.

Molecular Properties

Compound Name1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
PubChem CID57486602
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
SMILESCN(C)C(F)(F)C1CCCO1
InChIInChI=1S/C7H13F2NO/c1-10(2)7(8,9)6-4-3-5-11-6/h6H,3-5H2,1-2H3
InChIKeyIMMHHOQBWQMUCM-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
CID 99640388
2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
CID 19783535
2,2,4,4-tetramethyl-3-(oxolan-2-yl)pentan-3-ol
CID 551403
(2S)-2-tert-butyloxane
CID 118633229
1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
CID 89068349
O-[2-(oxolan-2-yl)propan-2-yl]hydroxylamine
CID 117104720
1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine
CID 66999978
2-methyl-2-[(2S)-oxolan-2-yl]propanoic acid
CID 129368356
(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031
2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane
CID 139743782
methanediol;2-(oxolan-2-yl)propan-2-yl 2,2,2-trifluoroacetate
CID 156747447
2-[2-(oxolan-2-yl)heptan-2-yl]oxolane
CID 141391845

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of 1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine (CID 57486602) is 1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for 1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for 1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine is CN(C)C(F)(F)C1CCCO1.
What is the InChIKey of 1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine?
The InChIKey is IMMHHOQBWQMUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-10(2)7(8,9)6-4-3-5-11-6/h6H,3-5H2,1-2H3.
What are the key properties of 1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine?
1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine has a molecular weight of 165.18 g/mol, XLogP of 1.32, 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-2-yl)methanamine is sourced from PubChem (CID 57486602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).