2-[2-(difluoromethoxy)cyclopentyl]ethanamine

C8H15F2NO — CID 84718125

IUPAC2-[2-(difluoromethoxy)cyclopentyl]ethanamine
SMILESNCCC1CCCC1OC(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)12-7-3-1-2-6(7)4-5-11/h6-8H,1-5,11H2
InChIKeyJCGRCJVPJVAZBP-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.74
Rot. Bonds4

About 2-[2-(difluoromethoxy)cyclopentyl]ethanamine

2-[2-(difluoromethoxy)cyclopentyl]ethanamine (PubChem CID 84718125) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)cyclopentyl]ethanamine.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)cyclopentyl]ethanamine
PubChem CID84718125
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-[2-(difluoromethoxy)cyclopentyl]ethanamine
SMILESNCCC1CCCC1OC(F)F
InChIInChI=1S/C8H15F2NO/c9-8(10)12-7-3-1-2-6(7)4-5-11/h6-8H,1-5,11H2
InChIKeyJCGRCJVPJVAZBP-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
CID 166889514
[2-(2,2,2-Trifluoroethoxy)cyclopentyl]methanamine
CID 43428736
[2-(2,2,3,3-Tetrafluoropropoxy)cyclopentyl]methanamine
CID 43428920
[2-(2,2-Difluoroethoxy)cyclopentyl]methanamine
CID 65836434
[2-(3,3,3-Trifluoropropoxy)cyclopentyl]methanamine
CID 65838681
[2-(2,2-Difluoroethoxymethyl)cyclopentyl]methanamine
CID 65915466
[2-(3,3,3-Trifluoropropoxymethyl)cyclopentyl]methanamine
CID 65917461
[2-(2,2,2-Trifluoroethoxymethyl)cyclopentyl]methanamine
CID 65917468
2-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]cyclopentan-1-amine
CID 79572488
3,3,3-Trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine
CID 82534366
[3-(Difluoromethoxy)cyclopentyl]methanamine
CID 84717028
[2-(Difluoromethoxy)cyclopentyl]methanamine
CID 84717030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)cyclopentyl]ethanamine?
The IUPAC name of 2-[2-(difluoromethoxy)cyclopentyl]ethanamine (CID 84718125) is 2-[2-(difluoromethoxy)cyclopentyl]ethanamine.
What is the SMILES notation for 2-[2-(difluoromethoxy)cyclopentyl]ethanamine?
The canonical SMILES for 2-[2-(difluoromethoxy)cyclopentyl]ethanamine is NCCC1CCCC1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)cyclopentyl]ethanamine?
The InChIKey is JCGRCJVPJVAZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)12-7-3-1-2-6(7)4-5-11/h6-8H,1-5,11H2.
What are the key properties of 2-[2-(difluoromethoxy)cyclopentyl]ethanamine?
2-[2-(difluoromethoxy)cyclopentyl]ethanamine has a molecular weight of 179.21 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)cyclopentyl]ethanamine is sourced from PubChem (CID 84718125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).