N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen

C6H12FNO — CID 176683431

IUPACN-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen
SMILESCCNC(=O)C1(F)CC1.[H][H]
InChIInChI=1S/C6H10FNO.H2/c1-2-8-5(9)6(7)3-4-6;/h2-4H2,1H3,(H,8,9);1H
InChIKeyMMRDCXNOBRUBRY-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.87
Rot. Bonds2

About N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen

N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 176683431) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen
PubChem CID176683431
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC NameN-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen
SMILESCCNC(=O)C1(F)CC1.[H][H]
InChIInChI=1S/C6H10FNO.H2/c1-2-8-5(9)6(7)3-4-6;/h2-4H2,1H3,(H,8,9);1H
InChIKeyMMRDCXNOBRUBRY-UHFFFAOYSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen 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 N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen (CID 176683431) is N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen is CCNC(=O)C1(F)CC1.[H][H].
What is the InChIKey of N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is MMRDCXNOBRUBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO.H2/c1-2-8-5(9)6(7)3-4-6;/h2-4H2,1H3,(H,8,9);1H.
What are the key properties of N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen?
N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 133.17 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 176683431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).