N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H21F3N2O2 — CID 64911803

IUPACN-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCCC1O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(5-6-17-8-12)11(20)18-7-9-3-1-2-4-10(9)19/h9-10,17,19H,1-8H2,(H,18,20)
InChIKeyKCGDIJDQKPPXDS-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.20
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 64911803) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID64911803
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CCCCC1O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)12(5-6-17-8-12)11(20)18-7-9-3-1-2-4-10(9)19/h9-10,17,19H,1-8H2,(H,18,20)
InChIKeyKCGDIJDQKPPXDS-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 64911803) is N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCC1CCCCC1O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is KCGDIJDQKPPXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)12(5-6-17-8-12)11(20)18-7-9-3-1-2-4-10(9)19/h9-10,17,19H,1-8H2,(H,18,20).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 64911803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).