1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine

C10H21F2NO2 — CID 103149054

IUPAC1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine
SMILESCOCCC(C)C(N)CCOCC(F)F
InChIInChI=1S/C10H21F2NO2/c1-8(3-5-14-2)9(13)4-6-15-7-10(11)12/h8-10H,3-7,13H2,1-2H3
InChIKeyCMTVXUVRTBNPOQ-UHFFFAOYSA-N
MW225.28 g/mol
LogP1.66
Rot. Bonds9

About 1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine

1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine (PubChem CID 103149054) has the molecular formula C10H21F2NO2 and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine
PubChem CID103149054
Molecular FormulaC10H21F2NO2
Molecular Weight225.28 g/mol
Exact Mass225.15
IUPAC Name1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine
SMILESCOCCC(C)C(N)CCOCC(F)F
InChIInChI=1S/C10H21F2NO2/c1-8(3-5-14-2)9(13)4-6-15-7-10(11)12/h8-10H,3-7,13H2,1-2H3
InChIKeyCMTVXUVRTBNPOQ-UHFFFAOYSA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 51.66
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine (CID 103149054) is 1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine is COCCC(C)C(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine?
The InChIKey is CMTVXUVRTBNPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO2/c1-8(3-5-14-2)9(13)4-6-15-7-10(11)12/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine?
1-(2,2-difluoroethoxy)-6-methoxy-4-methylhexan-3-amine has a molecular weight of 225.28 g/mol, XLogP of 1.66, 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-methoxy-4-methylhexan-3-amine is sourced from PubChem (CID 103149054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).