6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine

C10H18F3NO — CID 79953156

IUPAC6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine
SMILESNC(CCC1CCCO1)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-5-8(14)3-4-9-2-1-7-15-9/h8-9H,1-7,14H2
InChIKeyPTALSXDFZSXXIB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds5

About 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine

6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine (PubChem CID 79953156) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine
PubChem CID79953156
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine
SMILESNC(CCC1CCCO1)CCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-5-8(14)3-4-9-2-1-7-15-9/h8-9H,1-7,14H2
InChIKeyPTALSXDFZSXXIB-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine (CID 79953156) is 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine is NC(CCC1CCCO1)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine?
The InChIKey is PTALSXDFZSXXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)6-5-8(14)3-4-9-2-1-7-15-9/h8-9H,1-7,14H2.
What are the key properties of 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine?
6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine has a molecular weight of 225.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-3-amine is sourced from PubChem (CID 79953156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).