methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate

C16H18F2N2O2 — CID 155437767

IUPACmethyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(n2cc3ccc(C(F)F)cc3n2)CC1
InChIInChI=1S/C16H18F2N2O2/c1-22-16(21)10-4-6-13(7-5-10)20-9-12-3-2-11(15(17)18)8-14(12)19-20/h2-3,8-10,13,15H,4-7H2,1H3
InChIKeyFVKKHPXHLAMYFW-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.88
Rot. Bonds3

About methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate

methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate (PubChem CID 155437767) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate
PubChem CID155437767
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Namemethyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(n2cc3ccc(C(F)F)cc3n2)CC1
InChIInChI=1S/C16H18F2N2O2/c1-22-16(21)10-4-6-13(7-5-10)20-9-12-3-2-11(15(17)18)8-14(12)19-20/h2-3,8-10,13,15H,4-7H2,1H3
InChIKeyFVKKHPXHLAMYFW-UHFFFAOYSA-N
XLogP3.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate (CID 155437767) is methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(n2cc3ccc(C(F)F)cc3n2)CC1.
What is the InChIKey of methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate?
The InChIKey is FVKKHPXHLAMYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c1-22-16(21)10-4-6-13(7-5-10)20-9-12-3-2-11(15(17)18)8-14(12)19-20/h2-3,8-10,13,15H,4-7H2,1H3.
What are the key properties of methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate?
methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate has a molecular weight of 308.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(difluoromethyl)indazol-2-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 155437767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).