1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine

C13H27F2NO — CID 103149078

IUPAC1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine
SMILESCCCCC(CC)CC(N)CCOCC(F)F
InChIInChI=1S/C13H27F2NO/c1-3-5-6-11(4-2)9-12(16)7-8-17-10-13(14)15/h11-13H,3-10,16H2,1-2H3
InChIKeyIHJOSICVABSICC-UHFFFAOYSA-N
MW251.36 g/mol
LogP3.59
Rot. Bonds11

About 1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine

1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine (PubChem CID 103149078) has the molecular formula C13H27F2NO and a molecular weight of 251.36 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine
PubChem CID103149078
Molecular FormulaC13H27F2NO
Molecular Weight251.36 g/mol
Exact Mass251.21
IUPAC Name1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine
SMILESCCCCC(CC)CC(N)CCOCC(F)F
InChIInChI=1S/C13H27F2NO/c1-3-5-6-11(4-2)9-12(16)7-8-17-10-13(14)15/h11-13H,3-10,16H2,1-2H3
InChIKeyIHJOSICVABSICC-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
1-(Difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine
CID 170585146
4-Propoxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
CID 174261842
(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
CID 177282038
(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
CID 177282058
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290
2-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490659
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490905

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine (CID 103149078) is 1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine is CCCCC(CC)CC(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine?
The InChIKey is IHJOSICVABSICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F2NO/c1-3-5-6-11(4-2)9-12(16)7-8-17-10-13(14)15/h11-13H,3-10,16H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine?
1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine has a molecular weight of 251.36 g/mol, XLogP of 3.59, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-5-ethylnonan-3-amine is sourced from PubChem (CID 103149078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).