[3-(difluoromethoxy)cyclopentyl]methanamine

C7H13F2NO — CID 84717028

IUPAC[3-(difluoromethoxy)cyclopentyl]methanamine
SMILESNCC1CCC(OC(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)11-6-2-1-5(3-6)4-10/h5-7H,1-4,10H2
InChIKeyJJMFNXOANWYMPV-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.35
Rot. Bonds3

About [3-(difluoromethoxy)cyclopentyl]methanamine

[3-(difluoromethoxy)cyclopentyl]methanamine (PubChem CID 84717028) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is [3-(difluoromethoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethoxy)cyclopentyl]methanamine
PubChem CID84717028
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name[3-(difluoromethoxy)cyclopentyl]methanamine
SMILESNCC1CCC(OC(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)11-6-2-1-5(3-6)4-10/h5-7H,1-4,10H2
InChIKeyJJMFNXOANWYMPV-UHFFFAOYSA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)cyclopentyl]methanamine?
The IUPAC name of [3-(difluoromethoxy)cyclopentyl]methanamine (CID 84717028) is [3-(difluoromethoxy)cyclopentyl]methanamine.
What is the SMILES notation for [3-(difluoromethoxy)cyclopentyl]methanamine?
The canonical SMILES for [3-(difluoromethoxy)cyclopentyl]methanamine is NCC1CCC(OC(F)F)C1.
What is the InChIKey of [3-(difluoromethoxy)cyclopentyl]methanamine?
The InChIKey is JJMFNXOANWYMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)11-6-2-1-5(3-6)4-10/h5-7H,1-4,10H2.
What are the key properties of [3-(difluoromethoxy)cyclopentyl]methanamine?
[3-(difluoromethoxy)cyclopentyl]methanamine has a molecular weight of 165.18 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)cyclopentyl]methanamine is sourced from PubChem (CID 84717028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).