1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine

C8H17F2NO — CID 106676427

IUPAC1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(CC(C)(C)OC)C(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,12-4)5-6(11-3)7(9)10/h6-7,11H,5H2,1-4H3
InChIKeyKJDFINRABCGCLD-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.65
Rot. Bonds5

About 1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine

1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine (PubChem CID 106676427) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine
PubChem CID106676427
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine
SMILESCNC(CC(C)(C)OC)C(F)F
InChIInChI=1S/C8H17F2NO/c1-8(2,12-4)5-6(11-3)7(9)10/h6-7,11H,5H2,1-4H3
InChIKeyKJDFINRABCGCLD-UHFFFAOYSA-N
XLogP1.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-2-methyl-4-(methylamino)pentan-2-ol
CID 117736611
5,5,5-Trifluoro-2-methyl-4-(methylamino)pentan-2-ol
CID 178143366
4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 55260683
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-2-amine
CID 61491008
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-methyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 64706451
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
1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
CID 66205958
N-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 66276741
6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine
CID 79197558

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine?
The IUPAC name of 1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine (CID 106676427) is 1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine.
What is the SMILES notation for 1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine?
The canonical SMILES for 1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine is CNC(CC(C)(C)OC)C(F)F.
What is the InChIKey of 1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine?
The InChIKey is KJDFINRABCGCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-8(2,12-4)5-6(11-3)7(9)10/h6-7,11H,5H2,1-4H3.
What are the key properties of 1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine?
1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine has a molecular weight of 181.23 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methoxy-N,4-dimethylpentan-2-amine is sourced from PubChem (CID 106676427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).