N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine

C10H19F2NO — CID 82007094

IUPACN-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)F)CCCC1
InChIInChI=1S/C10H19F2NO/c1-2-13-8-10(5-3-4-6-10)14-7-9(11)12/h9,13H,2-8H2,1H3
InChIKeyVPEHRTXWZNGMHK-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds6

About N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine

N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine (PubChem CID 82007094) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine
PubChem CID82007094
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC NameN-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine
SMILESCCNCC1(OCC(F)F)CCCC1
InChIInChI=1S/C10H19F2NO/c1-2-13-8-10(5-3-4-6-10)14-7-9(11)12/h9,13H,2-8H2,1H3
InChIKeyVPEHRTXWZNGMHK-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine (CID 82007094) is N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine is CCNCC1(OCC(F)F)CCCC1.
What is the InChIKey of N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine?
The InChIKey is VPEHRTXWZNGMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-2-13-8-10(5-3-4-6-10)14-7-9(11)12/h9,13H,2-8H2,1H3.
What are the key properties of N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine?
N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethoxy)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 82007094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).