N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane

C17H31F2NO — CID 164537867

IUPACN-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane
SMILESCC1CCCC(C(=O)NC2CCC(F)(F)CC2)C1.CCC
InChIInChI=1S/C14H23F2NO.C3H8/c1-10-3-2-4-11(9-10)13(18)17-12-5-7-14(15,16)8-6-12;1-3-2/h10-12H,2-9H2,1H3,(H,17,18);3H2,1-2H3
InChIKeyDBRKHVDILWQDFL-UHFFFAOYSA-N
MW303.44 g/mol
LogP4.92
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane

N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane (PubChem CID 164537867) has the molecular formula C17H31F2NO and a molecular weight of 303.44 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane
PubChem CID164537867
Molecular FormulaC17H31F2NO
Molecular Weight303.44 g/mol
Exact Mass303.24
IUPAC NameN-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane
SMILESCC1CCCC(C(=O)NC2CCC(F)(F)CC2)C1.CCC
InChIInChI=1S/C14H23F2NO.C3H8/c1-10-3-2-4-11(9-10)13(18)17-12-5-7-14(15,16)8-6-12;1-3-2/h10-12H,2-9H2,1H3,(H,17,18);3H2,1-2H3
InChIKeyDBRKHVDILWQDFL-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane (CID 164537867) is N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane is CC1CCCC(C(=O)NC2CCC(F)(F)CC2)C1.CCC.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane?
The InChIKey is DBRKHVDILWQDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO.C3H8/c1-10-3-2-4-11(9-10)13(18)17-12-5-7-14(15,16)8-6-12;1-3-2/h10-12H,2-9H2,1H3,(H,17,18);3H2,1-2H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane?
N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane has a molecular weight of 303.44 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-3-methylcyclohexane-1-carboxamide;propane is sourced from PubChem (CID 164537867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).