1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide

C8H14F2N2O2 — CID 82006834

IUPAC1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(OCC(F)F)C1
InChIInChI=1S/C8H14F2N2O2/c9-6(10)4-14-5-1-2-8(12,3-5)7(11)13/h5-6H,1-4,12H2,(H2,11,13)
InChIKeySVXBQWKPLHHJDN-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.00
Rot. Bonds4

About 1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide

1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide (PubChem CID 82006834) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide
PubChem CID82006834
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(OCC(F)F)C1
InChIInChI=1S/C8H14F2N2O2/c9-6(10)4-14-5-1-2-8(12,3-5)7(11)13/h5-6H,1-4,12H2,(H2,11,13)
InChIKeySVXBQWKPLHHJDN-UHFFFAOYSA-N
XLogP0.00
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide (CID 82006834) is 1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide is NC(=O)C1(N)CCC(OCC(F)F)C1.
What is the InChIKey of 1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide?
The InChIKey is SVXBQWKPLHHJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-6(10)4-14-5-1-2-8(12,3-5)7(11)13/h5-6H,1-4,12H2,(H2,11,13).
What are the key properties of 1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide?
1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide has a molecular weight of 208.21 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,2-difluoroethoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 82006834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).