N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H21F3N2O2 — CID 63709151

IUPACN-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(6-7-17-8-12)10(20)18-11(9-19)4-2-1-3-5-11/h17,19H,1-9H2,(H,18,20)
InChIKeyFGBSHZKCINYECN-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.34
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63709151) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63709151
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(6-7-17-8-12)10(20)18-11(9-19)4-2-1-3-5-11/h17,19H,1-9H2,(H,18,20)
InChIKeyFGBSHZKCINYECN-UHFFFAOYSA-N
XLogP1.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63709151) is N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NC1(CO)CCCCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is FGBSHZKCINYECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)12(6-7-17-8-12)10(20)18-11(9-19)4-2-1-3-5-11/h17,19H,1-9H2,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63709151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).