N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine

C10H19F2NO — CID 82008954

IUPACN-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine
SMILESFC(F)COCCCNC1CCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)8-14-7-3-6-13-9-4-1-2-5-9/h9-10,13H,1-8H2
InChIKeyDSBLHHMUORBSKQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds7

About N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine

N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine (PubChem CID 82008954) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine
PubChem CID82008954
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC NameN-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine
SMILESFC(F)COCCCNC1CCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)8-14-7-3-6-13-9-4-1-2-5-9/h9-10,13H,1-8H2
InChIKeyDSBLHHMUORBSKQ-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine?
The IUPAC name of N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine (CID 82008954) is N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine is FC(F)COCCCNC1CCCC1.
What is the InChIKey of N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine?
The InChIKey is DSBLHHMUORBSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-10(12)8-14-7-3-6-13-9-4-1-2-5-9/h9-10,13H,1-8H2.
What are the key properties of N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine?
N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethoxy)propyl]cyclopentanamine is sourced from PubChem (CID 82008954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).