(2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide

C16H22F6N2O — CID 162544898

IUPAC(2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC1C(C(F)(F)F)C=C(C(F)(F)F)CC1(C)CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C16H22F6N2O/c1-9-11(16(20,21)22)6-10(15(17,18)19)7-14(9,2)8-24-13(25)12-4-3-5-23-12/h6,9,11-12,23H,3-5,7-8H2,1-2H3,(H,24,25)/t9?,11?,12-,14?/m1/s1
InChIKeyFCQOVOHERJXSFT-JCFBAXGHSA-N
MW372.35 g/mol
LogP3.57
Rot. Bonds3

About (2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide

(2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 162544898) has the molecular formula C16H22F6N2O and a molecular weight of 372.35 g/mol. Its IUPAC name is (2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID162544898
Molecular FormulaC16H22F6N2O
Molecular Weight372.35 g/mol
Exact Mass372.16
IUPAC Name(2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide
SMILESCC1C(C(F)(F)F)C=C(C(F)(F)F)CC1(C)CNC(=O)[C@H]1CCCN1
InChIInChI=1S/C16H22F6N2O/c1-9-11(16(20,21)22)6-10(15(17,18)19)7-14(9,2)8-24-13(25)12-4-3-5-23-12/h6,9,11-12,23H,3-5,7-8H2,1-2H3,(H,24,25)/t9?,11?,12-,14?/m1/s1
InChIKeyFCQOVOHERJXSFT-JCFBAXGHSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide (CID 162544898) is (2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide is CC1C(C(F)(F)F)C=C(C(F)(F)F)CC1(C)CNC(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is FCQOVOHERJXSFT-JCFBAXGHSA-N. The full InChI is InChI=1S/C16H22F6N2O/c1-9-11(16(20,21)22)6-10(15(17,18)19)7-14(9,2)8-24-13(25)12-4-3-5-23-12/h6,9,11-12,23H,3-5,7-8H2,1-2H3,(H,24,25)/t9?,11?,12-,14?/m1/s1.
What are the key properties of (2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide?
(2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[1,6-dimethyl-3,5-bis(trifluoromethyl)cyclohex-3-en-1-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162544898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).