N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide

C11H17F2NO2 — CID 90773517

IUPACN-(4,4-difluorocyclohexyl)oxolane-2-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)C1CCCO1
InChIInChI=1S/C11H17F2NO2/c12-11(13)5-3-8(4-6-11)14-10(15)9-2-1-7-16-9/h8-9H,1-7H2,(H,14,15)
InChIKeyIUAJIPLWNOTABW-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.86
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide

N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide (PubChem CID 90773517) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)oxolane-2-carboxamide
PubChem CID90773517
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC NameN-(4,4-difluorocyclohexyl)oxolane-2-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)C1CCCO1
InChIInChI=1S/C11H17F2NO2/c12-11(13)5-3-8(4-6-11)14-10(15)9-2-1-7-16-9/h8-9H,1-7H2,(H,14,15)
InChIKeyIUAJIPLWNOTABW-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide (CID 90773517) is N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide is O=C(NC1CCC(F)(F)CC1)C1CCCO1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide?
The InChIKey is IUAJIPLWNOTABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-11(13)5-3-8(4-6-11)14-10(15)9-2-1-7-16-9/h8-9H,1-7H2,(H,14,15).
What are the key properties of N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide?
N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide has a molecular weight of 233.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide is sourced from PubChem (CID 90773517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).