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

C8H15F2NO — CID 65050491

IUPAC[1-(2,2-difluoroethoxy)cyclopentyl]methanamine
SMILESNCC1(OCC(F)F)CCCC1
InChIInChI=1S/C8H15F2NO/c9-7(10)5-12-8(6-11)3-1-2-4-8/h7H,1-6,11H2
InChIKeyYVQGFKVWJKMXGZ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.54
Rot. Bonds4

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

[1-(2,2-difluoroethoxy)cyclopentyl]methanamine (PubChem CID 65050491) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [1-(2,2-difluoroethoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoroethoxy)cyclopentyl]methanamine
PubChem CID65050491
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[1-(2,2-difluoroethoxy)cyclopentyl]methanamine
SMILESNCC1(OCC(F)F)CCCC1
InChIInChI=1S/C8H15F2NO/c9-7(10)5-12-8(6-11)3-1-2-4-8/h7H,1-6,11H2
InChIKeyYVQGFKVWJKMXGZ-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.54
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)cyclopentyl]methanamine?
The IUPAC name of [1-(2,2-difluoroethoxy)cyclopentyl]methanamine (CID 65050491) is [1-(2,2-difluoroethoxy)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2,2-difluoroethoxy)cyclopentyl]methanamine?
The canonical SMILES for [1-(2,2-difluoroethoxy)cyclopentyl]methanamine is NCC1(OCC(F)F)CCCC1.
What is the InChIKey of [1-(2,2-difluoroethoxy)cyclopentyl]methanamine?
The InChIKey is YVQGFKVWJKMXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-7(10)5-12-8(6-11)3-1-2-4-8/h7H,1-6,11H2.
What are the key properties of [1-(2,2-difluoroethoxy)cyclopentyl]methanamine?
[1-(2,2-difluoroethoxy)cyclopentyl]methanamine has a molecular weight of 179.21 g/mol, XLogP of 1.54, 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)cyclopentyl]methanamine is sourced from PubChem (CID 65050491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).