1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide

C8H14F2N2O2 — CID 107479411

IUPAC1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C8H14F2N2O2/c9-6(10)5-12(3-4-13)7(14)8(11)1-2-8/h6,13H,1-5,11H2
InChIKeyJJBYYHWDCLGAQM-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.44
Rot. Bonds5

About 1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide

1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide (PubChem CID 107479411) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
PubChem CID107479411
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESNC1(C(=O)N(CCO)CC(F)F)CC1
InChIInChI=1S/C8H14F2N2O2/c9-6(10)5-12(3-4-13)7(14)8(11)1-2-8/h6,13H,1-5,11H2
InChIKeyJJBYYHWDCLGAQM-UHFFFAOYSA-N
XLogP-0.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide (CID 107479411) is 1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide is NC1(C(=O)N(CCO)CC(F)F)CC1.
What is the InChIKey of 1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The InChIKey is JJBYYHWDCLGAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-6(10)5-12(3-4-13)7(14)8(11)1-2-8/h6,13H,1-5,11H2.
What are the key properties of 1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide has a molecular weight of 208.21 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 107479411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).