6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine

C9H15F6NO — CID 102721961

IUPAC6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine
SMILESCC(N)CCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6NO/c1-6(16)4-2-3-5-17-7(8(10,11)12)9(13,14)15/h6-7H,2-5,16H2,1H3
InChIKeyCAXGSJGWGLLGHW-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.01
Rot. Bonds6

About 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine

6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine (PubChem CID 102721961) has the molecular formula C9H15F6NO and a molecular weight of 267.21 g/mol. Its IUPAC name is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine.

Molecular Properties

Compound Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine
PubChem CID102721961
Molecular FormulaC9H15F6NO
Molecular Weight267.21 g/mol
Exact Mass267.11
IUPAC Name6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine
SMILESCC(N)CCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6NO/c1-6(16)4-2-3-5-17-7(8(10,11)12)9(13,14)15/h6-7H,2-5,16H2,1H3
InChIKeyCAXGSJGWGLLGHW-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.01
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

amino(6-aminoheptoxy)methanol
CID 87237972
1-bromo-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butane
CID 102722024
[(5R)-5-aminohexyl] 2,2,2-trifluoroacetate
CID 88924333
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine
CID 102723237
2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol
CID 102723499
docosane-2,21-diamine
CID 150079956
1-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxyheptane
CID 146488162
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide
CID 102723432
6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627201
1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol
CID 102723518
(2S)-5-methoxypentan-2-amine
CID 93315322
6-[2-(3-methoxypropoxy)ethoxy]hexan-2-amine
CID 103177211

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine?
The IUPAC name of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine (CID 102721961) is 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine.
What is the SMILES notation for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine?
The canonical SMILES for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine is CC(N)CCCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine?
The InChIKey is CAXGSJGWGLLGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6NO/c1-6(16)4-2-3-5-17-7(8(10,11)12)9(13,14)15/h6-7H,2-5,16H2,1H3.
What are the key properties of 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine?
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine has a molecular weight of 267.21 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine is sourced from PubChem (CID 102721961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).