1-(2,2-difluoroethoxy)hexan-3-amine

C8H17F2NO — CID 103148945

IUPAC1-(2,2-difluoroethoxy)hexan-3-amine
SMILESCCCC(N)CCOCC(F)F
InChIInChI=1S/C8H17F2NO/c1-2-3-7(11)4-5-12-6-8(9)10/h7-8H,2-6,11H2,1H3
InChIKeyOFJIOCWFVDITAQ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.79
Rot. Bonds7

About 1-(2,2-difluoroethoxy)hexan-3-amine

1-(2,2-difluoroethoxy)hexan-3-amine (PubChem CID 103148945) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)hexan-3-amine
PubChem CID103148945
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1-(2,2-difluoroethoxy)hexan-3-amine
SMILESCCCC(N)CCOCC(F)F
InChIInChI=1S/C8H17F2NO/c1-2-3-7(11)4-5-12-6-8(9)10/h7-8H,2-6,11H2,1H3
InChIKeyOFJIOCWFVDITAQ-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.79
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

6-(Trifluoromethoxy)hexan-3-amine
CID 89074188
2,2,3,3,4,4,5,5-Octafluoro-6-pentoxyhexan-1-amine
CID 121403368
1-Butoxy-1-fluorohexan-2-amine
CID 139846232
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
(3R)-1-(trifluoromethoxy)pentan-3-amine
CID 169266071
(3R)-1-(difluoromethoxy)pentan-3-amine
CID 169266139
(3R)-1-ethoxy-1,1-difluoropentan-3-amine
CID 170384078
1-Ethoxy-1,1-difluoropentan-3-amine
CID 170384112
Ethane;1-ethoxy-1,1-difluoropentan-3-amine
CID 170584924
1-(Difluoromethoxy)-4,4-difluoropentan-3-amine;ethane
CID 170584959
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexoxy)propylazanium
CID 171752157

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)hexan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)hexan-3-amine (CID 103148945) is 1-(2,2-difluoroethoxy)hexan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)hexan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)hexan-3-amine is CCCC(N)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)hexan-3-amine?
The InChIKey is OFJIOCWFVDITAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-2-3-7(11)4-5-12-6-8(9)10/h7-8H,2-6,11H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)hexan-3-amine?
1-(2,2-difluoroethoxy)hexan-3-amine has a molecular weight of 181.23 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)hexan-3-amine is sourced from PubChem (CID 103148945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).