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

C11H17F2NO2 — CID 127690902

IUPAC(2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)[C@@H]1CCCO1
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)/t9-/m0/s1
InChIKeyIUAJIPLWNOTABW-VIFPVBQESA-N
MW233.26 g/mol
LogP1.86
Rot. Bonds2

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

(2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide (PubChem CID 127690902) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is (2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide
PubChem CID127690902
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name(2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)[C@@H]1CCCO1
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)/t9-/m0/s1
InChIKeyIUAJIPLWNOTABW-VIFPVBQESA-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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Related Compounds

N-cycloheptyloxolane-2-carboxamide
CID 3155142
N-cyclohexyloxolane-2-carboxamide
CID 4125021
N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide
CID 45872778
[2-(Cyclohexylamino)-2-oxo-1-pyrrolidin-2-ylethyl] 2,2,2-trifluoroacetate
CID 54311194
N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide
CID 90773517
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 43603404
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823282
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887332
(2R)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide
CID 51934429
(2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide
CID 51934430
(2S)-N-[[(2S)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943620
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943621

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide (CID 127690902) is (2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide is O=C(NC1CCC(F)(F)CC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide?
The InChIKey is IUAJIPLWNOTABW-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of (2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide?
(2S)-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 (2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide is sourced from PubChem (CID 127690902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).