N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide

C12H20FNO2 — CID 126790819

IUPACN-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide
SMILESCC1(C)C[C@@H]1NC(=O)C1(CF)CCOCC1
InChIInChI=1S/C12H20FNO2/c1-11(2)7-9(11)14-10(15)12(8-13)3-5-16-6-4-12/h9H,3-8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyOMFGKPGFBNMOGK-VIFPVBQESA-N
MW229.29 g/mol
LogP1.67
Rot. Bonds3

About N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide

N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide (PubChem CID 126790819) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide
PubChem CID126790819
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC NameN-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide
SMILESCC1(C)C[C@@H]1NC(=O)C1(CF)CCOCC1
InChIInChI=1S/C12H20FNO2/c1-11(2)7-9(11)14-10(15)12(8-13)3-5-16-6-4-12/h9H,3-8H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyOMFGKPGFBNMOGK-VIFPVBQESA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide 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-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide?
The IUPAC name of N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide (CID 126790819) is N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide?
The canonical SMILES for N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide is CC1(C)C[C@@H]1NC(=O)C1(CF)CCOCC1.
What is the InChIKey of N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide?
The InChIKey is OMFGKPGFBNMOGK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20FNO2/c1-11(2)7-9(11)14-10(15)12(8-13)3-5-16-6-4-12/h9H,3-8H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide?
N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide has a molecular weight of 229.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide is sourced from PubChem (CID 126790819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).