N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

C12H20F3NO3 — CID 64911939

IUPACN-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1CCCCC1O
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)8-19-6-5-11(18)16-7-9-3-1-2-4-10(9)17/h9-10,17H,1-8H2,(H,16,18)
InChIKeySYROZTNAHGIXFF-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.62
Rot. Bonds6

About N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 64911939) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID64911939
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1CCCCC1O
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)8-19-6-5-11(18)16-7-9-3-1-2-4-10(9)17/h9-10,17H,1-8H2,(H,16,18)
InChIKeySYROZTNAHGIXFF-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 64911939) is N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is SYROZTNAHGIXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)8-19-6-5-11(18)16-7-9-3-1-2-4-10(9)17/h9-10,17H,1-8H2,(H,16,18).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 283.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 64911939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).