[1-(2,2-difluoroethoxy)cycloheptyl]methanamine

C10H19F2NO — CID 65051697

IUPAC[1-(2,2-difluoroethoxy)cycloheptyl]methanamine
SMILESNCC1(OCC(F)F)CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-9(12)7-14-10(8-13)5-3-1-2-4-6-10/h9H,1-8,13H2
InChIKeyACCJESQJZZRXCW-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.32
Rot. Bonds4

About [1-(2,2-difluoroethoxy)cycloheptyl]methanamine

[1-(2,2-difluoroethoxy)cycloheptyl]methanamine (PubChem CID 65051697) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is [1-(2,2-difluoroethoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoroethoxy)cycloheptyl]methanamine
PubChem CID65051697
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name[1-(2,2-difluoroethoxy)cycloheptyl]methanamine
SMILESNCC1(OCC(F)F)CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-9(12)7-14-10(8-13)5-3-1-2-4-6-10/h9H,1-8,13H2
InChIKeyACCJESQJZZRXCW-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethoxy)cycloheptyl]methanamine?
The IUPAC name of [1-(2,2-difluoroethoxy)cycloheptyl]methanamine (CID 65051697) is [1-(2,2-difluoroethoxy)cycloheptyl]methanamine.
What is the SMILES notation for [1-(2,2-difluoroethoxy)cycloheptyl]methanamine?
The canonical SMILES for [1-(2,2-difluoroethoxy)cycloheptyl]methanamine is NCC1(OCC(F)F)CCCCCC1.
What is the InChIKey of [1-(2,2-difluoroethoxy)cycloheptyl]methanamine?
The InChIKey is ACCJESQJZZRXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-9(12)7-14-10(8-13)5-3-1-2-4-6-10/h9H,1-8,13H2.
What are the key properties of [1-(2,2-difluoroethoxy)cycloheptyl]methanamine?
[1-(2,2-difluoroethoxy)cycloheptyl]methanamine has a molecular weight of 207.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethoxy)cycloheptyl]methanamine is sourced from PubChem (CID 65051697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).