N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C12H19F3N2O2 — CID 63708975

IUPACN-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(5-6-16-7-11)10(19)17-8-3-1-2-4-9(8)18/h8-9,16,18H,1-7H2,(H,17,19)
InChIKeyQUKGPJZJKXXWTA-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.95
Rot. Bonds2

About N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708975) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708975
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC NameN-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C12H19F3N2O2/c13-12(14,15)11(5-6-16-7-11)10(19)17-8-3-1-2-4-9(8)18/h8-9,16,18H,1-7H2,(H,17,19)
InChIKeyQUKGPJZJKXXWTA-UHFFFAOYSA-N
XLogP0.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708975) is N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NC1CCCCC1O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is QUKGPJZJKXXWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c13-12(14,15)11(5-6-16-7-11)10(19)17-8-3-1-2-4-9(8)18/h8-9,16,18H,1-7H2,(H,17,19).
What are the key properties of N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).