cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine

C7H13F2NO — CID 171818952

IUPACcis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1OCC(F)F
InChIInChI=1S/C7H13F2NO/c8-7(9)4-11-6-3-1-2-5(6)10/h5-7H,1-4,10H2/t5-,6+/m1/s1
InChIKeyFUGQULXHPZXWQD-RITPCOANSA-N
MW165.18 g/mol
LogP1.15
Rot. Bonds3

About cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine

cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine (PubChem CID 171818952) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine
PubChem CID171818952
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Namecis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1OCC(F)F
InChIInChI=1S/C7H13F2NO/c8-7(9)4-11-6-3-1-2-5(6)10/h5-7H,1-4,10H2/t5-,6+/m1/s1
InChIKeyFUGQULXHPZXWQD-RITPCOANSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine (CID 171818952) is cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine is N[C@@H]1CCC[C@@H]1OCC(F)F.
What is the InChIKey of cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine?
The InChIKey is FUGQULXHPZXWQD-RITPCOANSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)4-11-6-3-1-2-5(6)10/h5-7H,1-4,10H2/t5-,6+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine?
cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine has a molecular weight of 165.18 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(2,2-difluoroethoxy)cyclopentan-1-amine is sourced from PubChem (CID 171818952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).