7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine

C9H15F6NO — CID 103148031

IUPAC7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESNC(CCCC(F)(F)F)CCOCC(F)(F)F
InChIInChI=1S/C9H15F6NO/c10-8(11,12)4-1-2-7(16)3-5-17-6-9(13,14)15/h7H,1-6,16H2
InChIKeyUNYUMRHVFPSKAR-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.02
Rot. Bonds7

About 7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine

7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 103148031) has the molecular formula C9H15F6NO and a molecular weight of 267.21 g/mol. Its IUPAC name is 7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID103148031
Molecular FormulaC9H15F6NO
Molecular Weight267.21 g/mol
Exact Mass267.11
IUPAC Name7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESNC(CCCC(F)(F)F)CCOCC(F)(F)F
InChIInChI=1S/C9H15F6NO/c10-8(11,12)4-1-2-7(16)3-5-17-6-9(13,14)15/h7H,1-6,16H2
InChIKeyUNYUMRHVFPSKAR-UHFFFAOYSA-N
XLogP3.02
TPSA35.25 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 ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of 7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 103148031) is 7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for 7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for 7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine is NC(CCCC(F)(F)F)CCOCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is UNYUMRHVFPSKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F6NO/c10-8(11,12)4-1-2-7(16)3-5-17-6-9(13,14)15/h7H,1-6,16H2.
What are the key properties of 7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 267.21 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 103148031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).