4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide

C15H26F2N2O2 — CID 106611480

IUPAC4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCOCCN(CC1CCCN1)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H26F2N2O2/c1-21-10-9-19(11-13-3-2-8-18-13)14(20)12-4-6-15(16,17)7-5-12/h12-13,18H,2-11H2,1H3
InChIKeySPKNEJCVYVHJML-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.04
Rot. Bonds6

About 4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide

4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 106611480) has the molecular formula C15H26F2N2O2 and a molecular weight of 304.38 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID106611480
Molecular FormulaC15H26F2N2O2
Molecular Weight304.38 g/mol
Exact Mass304.20
IUPAC Name4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCOCCN(CC1CCCN1)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C15H26F2N2O2/c1-21-10-9-19(11-13-3-2-8-18-13)14(20)12-4-6-15(16,17)7-5-12/h12-13,18H,2-11H2,1H3
InChIKeySPKNEJCVYVHJML-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide (CID 106611480) is 4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide is COCCN(CC1CCCN1)C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is SPKNEJCVYVHJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O2/c1-21-10-9-19(11-13-3-2-8-18-13)14(20)12-4-6-15(16,17)7-5-12/h12-13,18H,2-11H2,1H3.
What are the key properties of 4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106611480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).