2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine

C9H20F2N2O — CID 106675782

IUPAC2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCC(F)F
InChIInChI=1S/C9H20F2N2O/c1-9(2,14-3)4-7(5-12)13-6-8(10)11/h7-8,13H,4-6,12H2,1-3H3
InChIKeyAAWBMMLKQNWVQI-UHFFFAOYSA-N
MW210.27 g/mol
LogP0.98
Rot. Bonds7

About 2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine

2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine (PubChem CID 106675782) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine
PubChem CID106675782
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCC(F)F
InChIInChI=1S/C9H20F2N2O/c1-9(2,14-3)4-7(5-12)13-6-8(10)11/h7-8,13H,4-6,12H2,1-3H3
InChIKeyAAWBMMLKQNWVQI-UHFFFAOYSA-N
XLogP0.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine with MolForge

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Related Compounds

4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
1-N,1-N,4-trimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]pentane-1,2-diamine
CID 61511309
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142
1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 66205173
N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 80604812
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 80605536
4-methoxy-4-methyl-N-(4,4,4-trifluorobutyl)pentan-2-amine
CID 81343377
N-ethyl-1,1,1-trifluoro-5-methoxy-5-methylhexan-2-amine
CID 103031785
1,1,1-trifluoro-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103032113
1,1,1-trifluoro-5-methoxy-N,5-dimethylhexan-2-amine
CID 103032277
1,1-difluoro-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103517295

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine (CID 106675782) is 2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine is COC(C)(C)CC(CN)NCC(F)F.
What is the InChIKey of 2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine?
The InChIKey is AAWBMMLKQNWVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20F2N2O/c1-9(2,14-3)4-7(5-12)13-6-8(10)11/h7-8,13H,4-6,12H2,1-3H3.
What are the key properties of 2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine?
2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine has a molecular weight of 210.27 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine is sourced from PubChem (CID 106675782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).