1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine

C8H17F2NO — CID 103517156

IUPAC1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine
SMILESCNC(C(F)F)C(C)CCOC
InChIInChI=1S/C8H17F2NO/c1-6(4-5-12-3)7(11-2)8(9)10/h6-8,11H,4-5H2,1-3H3
InChIKeySVOYGCABUSIRCW-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.51
Rot. Bonds6

About 1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine

1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine (PubChem CID 103517156) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine
PubChem CID103517156
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine
SMILESCNC(C(F)F)C(C)CCOC
InChIInChI=1S/C8H17F2NO/c1-6(4-5-12-3)7(11-2)8(9)10/h6-8,11H,4-5H2,1-3H3
InChIKeySVOYGCABUSIRCW-UHFFFAOYSA-N
XLogP1.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethoxy-N,3,6-trimethylheptan-4-amine
CID 116720146
1,5-dimethoxy-N,3-dimethyloctan-4-amine
CID 116718993
6-methoxy-N,4-dimethyl-2-phenylhexan-3-amine
CID 114029143
tert-butyl N-[7-methoxy-2,5-dimethyl-4-(methylamino)heptan-3-yl]carbamate
CID 165340175
N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine
CID 103312319
(5-ethyl-1-methoxy-3-methylheptan-4-yl)hydrazine
CID 105337856
1,7-dimethoxy-N,2,5-trimethylheptan-4-amine
CID 105185179
1-methoxy-N,3,6-trimethyloctan-4-amine
CID 105044439
7-methoxy-N,5-dimethylhept-1-en-4-amine
CID 116660673
2-fluoro-5-methoxy-3-methylpentanoic acid
CID 81357953
4-methoxy-2-methyl-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol
CID 115836119
1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044561

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine?
The IUPAC name of 1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine (CID 103517156) is 1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine.
What is the SMILES notation for 1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine?
The canonical SMILES for 1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine is CNC(C(F)F)C(C)CCOC.
What is the InChIKey of 1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine?
The InChIKey is SVOYGCABUSIRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-6(4-5-12-3)7(11-2)8(9)10/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine?
1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine has a molecular weight of 181.23 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5-methoxy-N,3-dimethylpentan-2-amine is sourced from PubChem (CID 103517156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).