1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine

C12H25F2NO2 — CID 103149832

IUPAC1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine
SMILESCCCNC(CCCOC)CCOCC(F)F
InChIInChI=1S/C12H25F2NO2/c1-3-7-15-11(5-4-8-16-2)6-9-17-10-12(13)14/h11-12,15H,3-10H2,1-2H3
InChIKeyUVHZXAWVRNDFRF-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.45
Rot. Bonds12

About 1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine

1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine (PubChem CID 103149832) has the molecular formula C12H25F2NO2 and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine
PubChem CID103149832
Molecular FormulaC12H25F2NO2
Molecular Weight253.33 g/mol
Exact Mass253.19
IUPAC Name1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine
SMILESCCCNC(CCCOC)CCOCC(F)F
InChIInChI=1S/C12H25F2NO2/c1-3-7-15-11(5-4-8-16-2)6-9-17-10-12(13)14/h11-12,15H,3-10H2,1-2H3
InChIKeyUVHZXAWVRNDFRF-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.45
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

1-methoxy-N-propyldodecan-4-amine
CID 65091880
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
1-(2,2-difluoroethoxy)-N-propylhept-5-yn-3-amine
CID 103149853
1-methoxy-N-propylhexan-3-amine
CID 61412304
1-methoxy-5-(3-methylbutoxy)-N-propylpentan-3-amine
CID 55095563
1-methoxy-N-propylnon-8-en-4-amine
CID 65091822
1-cyclopropyl-5-methoxy-N-propylpentan-2-amine
CID 65091943
6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471
1-(2-methoxyethoxy)-N-propyloct-7-en-3-amine
CID 102928668
4-(2,2-difluoroethoxy)-1-(2-methoxyphenyl)-N-propylbutan-2-amine
CID 103150052
1-methoxy-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62320759
1-propoxy-N-propylheptan-4-amine
CID 79568616

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine (CID 103149832) is 1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine is CCCNC(CCCOC)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine?
The InChIKey is UVHZXAWVRNDFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2NO2/c1-3-7-15-11(5-4-8-16-2)6-9-17-10-12(13)14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine?
1-(2,2-difluoroethoxy)-6-methoxy-N-propylhexan-3-amine has a molecular weight of 253.33 g/mol, XLogP of 2.45, 12 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-N-propylhexan-3-amine is sourced from PubChem (CID 103149832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).