1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine

C9H19F2NO2 — CID 103148845

IUPAC1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine
SMILESCOCCCC(N)CCOCC(F)F
InChIInChI=1S/C9H19F2NO2/c1-13-5-2-3-8(12)4-6-14-7-9(10)11/h8-9H,2-7,12H2,1H3
InChIKeyTZNMMHLJIAVPIE-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.41
Rot. Bonds9

About 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine

1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine (PubChem CID 103148845) has the molecular formula C9H19F2NO2 and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine
PubChem CID103148845
Molecular FormulaC9H19F2NO2
Molecular Weight211.25 g/mol
Exact Mass211.14
IUPAC Name1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine
SMILESCOCCCC(N)CCOCC(F)F
InChIInChI=1S/C9H19F2NO2/c1-13-5-2-3-8(12)4-6-14-7-9(10)11/h8-9H,2-7,12H2,1H3
InChIKeyTZNMMHLJIAVPIE-UHFFFAOYSA-N
XLogP1.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Aminohexyl 2,2,2-trifluoroacetate
CID 57114674
6-(Trifluoromethoxy)hexan-3-amine
CID 89074188
N-butoxysulfanyl-6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine
CID 163278184
6,6-Difluoro-1-(2-methoxyethoxy)heptan-3-amine
CID 163279016
Ethane;1-ethoxy-1,1-difluoropentan-3-amine
CID 170584924
4,4,4-Trifluoro-3-hexoxybutan-1-amine
CID 43753336
5-(2,2,2-Trifluoroethoxy)pentan-2-amine
CID 61490619
1-(2,2,2-Trifluoroethoxy)heptan-4-amine
CID 61490620
6-(2,2,2-Trifluoroethoxy)hexan-3-amine
CID 61490622
2-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490659
N-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490776
N-ethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490777

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine (CID 103148845) is 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine is COCCCC(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine?
The InChIKey is TZNMMHLJIAVPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO2/c1-13-5-2-3-8(12)4-6-14-7-9(10)11/h8-9H,2-7,12H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine?
1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine has a molecular weight of 211.25 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-6-methoxyhexan-3-amine is sourced from PubChem (CID 103148845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).