1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine

C8H15F2NO — CID 10702492

IUPAC1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine
SMILESC[C@H]1O[C@@H](CN(C)C)CC1(F)F
InChIInChI=1S/C8H15F2NO/c1-6-8(9,10)4-7(12-6)5-11(2)3/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyXVSNVHFZPCYTAV-RNFRBKRXSA-N
MW179.21 g/mol
LogP1.36
Rot. Bonds2

About 1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine

1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine (PubChem CID 10702492) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine
PubChem CID10702492
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine
SMILESC[C@H]1O[C@@H](CN(C)C)CC1(F)F
InChIInChI=1S/C8H15F2NO/c1-6-8(9,10)4-7(12-6)5-11(2)3/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyXVSNVHFZPCYTAV-RNFRBKRXSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine (CID 10702492) is 1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine is C[C@H]1O[C@@H](CN(C)C)CC1(F)F.
What is the InChIKey of 1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine?
The InChIKey is XVSNVHFZPCYTAV-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6-8(9,10)4-7(12-6)5-11(2)3/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of 1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine?
1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine has a molecular weight of 179.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10702492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).