[(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate

C15H24FNO2 — CID 170173099

IUPAC[(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate
SMILESCC1CC(=NOC(=O)C2(F)CCCCC2)CC(C)C1
InChIInChI=1S/C15H24FNO2/c1-11-8-12(2)10-13(9-11)17-19-14(18)15(16)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3
InChIKeyZGJXTRWDCMQXEL-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.01
Rot. Bonds2

About [(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate

[(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate (PubChem CID 170173099) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is [(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate.

Molecular Properties

Compound Name[(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate
PubChem CID170173099
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name[(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate
SMILESCC1CC(=NOC(=O)C2(F)CCCCC2)CC(C)C1
InChIInChI=1S/C15H24FNO2/c1-11-8-12(2)10-13(9-11)17-19-14(18)15(16)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3
InChIKeyZGJXTRWDCMQXEL-UHFFFAOYSA-N
XLogP4.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate?
The IUPAC name of [(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate (CID 170173099) is [(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate.
What is the SMILES notation for [(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate?
The canonical SMILES for [(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate is CC1CC(=NOC(=O)C2(F)CCCCC2)CC(C)C1.
What is the InChIKey of [(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate?
The InChIKey is ZGJXTRWDCMQXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11-8-12(2)10-13(9-11)17-19-14(18)15(16)6-4-3-5-7-15/h11-12H,3-10H2,1-2H3.
What are the key properties of [(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate?
[(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate has a molecular weight of 269.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,5-dimethylcyclohexylidene)amino] 1-fluorocyclohexane-1-carboxylate is sourced from PubChem (CID 170173099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).