[1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine

C11H20F3NO — CID 65051906

IUPAC[1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine
SMILESNCC1(OCCC(F)(F)F)CCCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)7-8-16-10(9-15)5-3-1-2-4-6-10/h1-9,15H2
InChIKeyQSMBTJVNVHBDHR-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.01
Rot. Bonds4

About [1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine

[1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine (PubChem CID 65051906) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine
PubChem CID65051906
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine
SMILESNCC1(OCCC(F)(F)F)CCCCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)7-8-16-10(9-15)5-3-1-2-4-6-10/h1-9,15H2
InChIKeyQSMBTJVNVHBDHR-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 [1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine?
The IUPAC name of [1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine (CID 65051906) is [1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine.
What is the SMILES notation for [1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine?
The canonical SMILES for [1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine is NCC1(OCCC(F)(F)F)CCCCCC1.
What is the InChIKey of [1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine?
The InChIKey is QSMBTJVNVHBDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)7-8-16-10(9-15)5-3-1-2-4-6-10/h1-9,15H2.
What are the key properties of [1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine?
[1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine 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 [1-(3,3,3-trifluoropropoxy)cycloheptyl]methanamine is sourced from PubChem (CID 65051906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).