5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine

C9H15F6NO — CID 102723237

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine
SMILESCNCCCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6NO/c1-16-5-3-2-4-6-17-7(8(10,11)12)9(13,14)15/h7,16H,2-6H2,1H3
InChIKeyQKPKCPGVIMACOW-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.89
Rot. Bonds7

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine

5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine (PubChem CID 102723237) has the molecular formula C9H15F6NO and a molecular weight of 267.21 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine
PubChem CID102723237
Molecular FormulaC9H15F6NO
Molecular Weight267.21 g/mol
Exact Mass267.11
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine
SMILESCNCCCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H15F6NO/c1-16-5-3-2-4-6-17-7(8(10,11)12)9(13,14)15/h7,16H,2-6H2,1H3
InChIKeyQKPKCPGVIMACOW-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.89
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

1-bromo-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butane
CID 102722024
1-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]oxyheptane
CID 146488162
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine
CID 102721961
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine
CID 102723293
N-methyl-3-propan-2-yloxypropan-1-amine
CID 19842664
N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide
CID 102723432
1,1,1-trifluoro-6-(methylamino)hexan-2-ol
CID 84732703
4-(1-ethoxypropan-2-yloxy)-N-methylbutan-1-amine
CID 103490477
4-(6-hexoxyhexoxy)-N-methylbutan-1-amine
CID 164959438
N-[6-(1,1,1-trifluoropropan-2-yloxy)hexyl]cyclopropanamine
CID 66274668
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine (CID 102723237) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine is CNCCCCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine?
The InChIKey is QKPKCPGVIMACOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6NO/c1-16-5-3-2-4-6-17-7(8(10,11)12)9(13,14)15/h7,16H,2-6H2,1H3.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine?
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine has a molecular weight of 267.21 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine is sourced from PubChem (CID 102723237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).