(2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide

C12H18F3NO2 — CID 51934430

IUPAC(2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1CCCO1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)8-3-5-9(6-4-8)16-11(17)10-2-1-7-18-10/h8-10H,1-7H2,(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyHKOPJSMXSLQVLM-RTBKNWGFSA-N
MW265.27 g/mol
LogP2.40
Rot. Bonds2

About (2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide

(2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide (PubChem CID 51934430) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide
PubChem CID51934430
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name(2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide
SMILESO=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1CCCO1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)8-3-5-9(6-4-8)16-11(17)10-2-1-7-18-10/h8-10H,1-7H2,(H,16,17)/t8?,9?,10-/m0/s1
InChIKeyHKOPJSMXSLQVLM-RTBKNWGFSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-2-carboxamide
CID 71863296
N-cyclohexyloxolane-2-carboxamide
CID 4125021
N-(2-Methylcyclohexyl)oxolane-2-carboxamide
CID 42910855
N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide
CID 45872778
2-Methyl-N-(3-methylcyclohexyl)oxolane-2-carboxamide
CID 71856944
5-methyl-N-[[2-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]oxolane-2-carboxamide
CID 86779385
N,N-dimethyl-5-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]oxolane-2-carboxamide
CID 119034531
(2S)-N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide
CID 127690902
N-(4,4-difluorocyclohexyl)oxolane-2-carboxamide
CID 90773517
(2r)-N-(Trans-4-Methylcyclohexyl)tetrahydrofuran-2-Carboxamide
CID 40235199
2-propan-2-yloxy-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 48144766
(2R)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide
CID 51934429

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide (CID 51934430) is (2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide is O=C(NC1CCC(C(F)(F)F)CC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide?
The InChIKey is HKOPJSMXSLQVLM-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)8-3-5-9(6-4-8)16-11(17)10-2-1-7-18-10/h8-10H,1-7H2,(H,16,17)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide?
(2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide has a molecular weight of 265.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(trifluoromethyl)cyclohexyl]oxolane-2-carboxamide is sourced from PubChem (CID 51934430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).