3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine

C11H20F3NO — CID 61070642

IUPAC3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine
SMILESNCCC(OC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10(7-8-15)16-9-5-3-1-2-4-6-9/h9-10H,1-8,15H2
InChIKeyOCGAWWFUWJKWSH-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.01
Rot. Bonds4

About 3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine

3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine (PubChem CID 61070642) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine
PubChem CID61070642
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine
SMILESNCCC(OC1CCCCCC1)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c12-11(13,14)10(7-8-15)16-9-5-3-1-2-4-6-9/h9-10H,1-8,15H2
InChIKeyOCGAWWFUWJKWSH-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine (CID 61070642) is 3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine is NCCC(OC1CCCCCC1)C(F)(F)F.
What is the InChIKey of 3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine?
The InChIKey is OCGAWWFUWJKWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)10(7-8-15)16-9-5-3-1-2-4-6-9/h9-10H,1-8,15H2.
What are the key properties of 3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine?
3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyloxy-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 61070642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).