methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate

C15H24FNO3 — CID 140576219

IUPACmethyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1NC(=O)C1CCC(F)CC1
InChIInChI=1S/C15H24FNO3/c1-20-15(19)12-4-2-3-5-13(12)17-14(18)10-6-8-11(16)9-7-10/h10-13H,2-9H2,1H3,(H,17,18)
InChIKeyKSNKMZGANPBYCQ-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.36
Rot. Bonds3

About methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate

methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 140576219) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
PubChem CID140576219
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Namemethyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1NC(=O)C1CCC(F)CC1
InChIInChI=1S/C15H24FNO3/c1-20-15(19)12-4-2-3-5-13(12)17-14(18)10-6-8-11(16)9-7-10/h10-13H,2-9H2,1H3,(H,17,18)
InChIKeyKSNKMZGANPBYCQ-UHFFFAOYSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate (CID 140576219) is methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1NC(=O)C1CCC(F)CC1.
What is the InChIKey of methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is KSNKMZGANPBYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-20-15(19)12-4-2-3-5-13(12)17-14(18)10-6-8-11(16)9-7-10/h10-13H,2-9H2,1H3,(H,17,18).
What are the key properties of methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate?
methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 285.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 140576219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).