N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide

C11H18F2N2O — CID 67991711

IUPACN-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(F)(F)C1
InChIInChI=1S/C11H18F2N2O/c12-11(13)6-7-15(8-11)10(16)14-9-4-2-1-3-5-9/h9H,1-8H2,(H,14,16)
InChIKeyXSLQCJPJLUEVND-UHFFFAOYSA-N
MW232.27 g/mol
LogP2.37
Rot. Bonds1

About N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide

N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide (PubChem CID 67991711) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide
PubChem CID67991711
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC NameN-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(F)(F)C1
InChIInChI=1S/C11H18F2N2O/c12-11(13)6-7-15(8-11)10(16)14-9-4-2-1-3-5-9/h9H,1-8H2,(H,14,16)
InChIKeyXSLQCJPJLUEVND-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(1-Cyclohexylpyrrolidin-3-yl)-N'-propan-2-ylcarbamimidic acid
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1-Cyclohexyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yl)urea
CID 790159
N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
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1-cyclohexyl-3-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]urea
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1-cyclohexyl-3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]urea
CID 95707249
N-cyclopentyl-4,4-difluoropiperidine-1-carboxamide
CID 121184660
1-(4,4-Difluorocyclohexyl)-1,3-dimethylurea
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1-Cyclohexyl-3-(2-fluoroethyl)urea
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide (CID 67991711) is N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(F)(F)C1.
What is the InChIKey of N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide?
The InChIKey is XSLQCJPJLUEVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c12-11(13)6-7-15(8-11)10(16)14-9-4-2-1-3-5-9/h9H,1-8H2,(H,14,16).
What are the key properties of N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide?
N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide has a molecular weight of 232.27 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,3-difluoropyrrolidine-1-carboxamide is sourced from PubChem (CID 67991711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).