2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

C12H21F3N2O2 — CID 106133035

IUPAC2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1CCC(O)CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-8(11(19)17-7-12(13,14)15)16-6-9-2-4-10(18)5-3-9/h8-10,16,18H,2-7H2,1H3,(H,17,19)
InChIKeySMOCDTMFJSEHSK-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.19
Rot. Bonds5

About 2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide

2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106133035) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106133035
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC(NCC1CCC(O)CC1)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-8(11(19)17-7-12(13,14)15)16-6-9-2-4-10(18)5-3-9/h8-10,16,18H,2-7H2,1H3,(H,17,19)
InChIKeySMOCDTMFJSEHSK-UHFFFAOYSA-N
XLogP1.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide (CID 106133035) is 2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is CC(NCC1CCC(O)CC1)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is SMOCDTMFJSEHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-8(11(19)17-7-12(13,14)15)16-6-9-2-4-10(18)5-3-9/h8-10,16,18H,2-7H2,1H3,(H,17,19).
What are the key properties of 2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide?
2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 282.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106133035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).