N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide

C12H20FNO2 — CID 126794007

IUPACN-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide
SMILESCC1(O)CC(C(=O)N[C@@H]2CCCC[C@H]2F)C1
InChIInChI=1S/C12H20FNO2/c1-12(16)6-8(7-12)11(15)14-10-5-3-2-4-9(10)13/h8-10,16H,2-7H2,1H3,(H,14,15)/t8?,9-,10-,12?/m1/s1
InChIKeyHXZKDCFIOKXARP-WDHPUFTPSA-N
MW229.29 g/mol
LogP1.54
Rot. Bonds2

About N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide

N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide (PubChem CID 126794007) has the molecular formula C12H20FNO2 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide
PubChem CID126794007
Molecular FormulaC12H20FNO2
Molecular Weight229.29 g/mol
Exact Mass229.15
IUPAC NameN-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide
SMILESCC1(O)CC(C(=O)N[C@@H]2CCCC[C@H]2F)C1
InChIInChI=1S/C12H20FNO2/c1-12(16)6-8(7-12)11(15)14-10-5-3-2-4-9(10)13/h8-10,16H,2-7H2,1H3,(H,14,15)/t8?,9-,10-,12?/m1/s1
InChIKeyHXZKDCFIOKXARP-WDHPUFTPSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide (CID 126794007) is N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide is CC1(O)CC(C(=O)N[C@@H]2CCCC[C@H]2F)C1.
What is the InChIKey of N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide?
The InChIKey is HXZKDCFIOKXARP-WDHPUFTPSA-N. The full InChI is InChI=1S/C12H20FNO2/c1-12(16)6-8(7-12)11(15)14-10-5-3-2-4-9(10)13/h8-10,16H,2-7H2,1H3,(H,14,15)/t8?,9-,10-,12?/m1/s1.
What are the key properties of N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide?
N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide has a molecular weight of 229.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-fluorocyclohexyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 126794007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).