N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide

C12H22F3NO3 — CID 87163818

IUPACN-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide
SMILESO=C(CCCCCCOCCC(F)(F)F)NCCO
InChIInChI=1S/C12H22F3NO3/c13-12(14,15)6-10-19-9-4-2-1-3-5-11(18)16-7-8-17/h17H,1-10H2,(H,16,18)
InChIKeyYPEYZACUTORUAL-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.01
Rot. Bonds11

About N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide

N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide (PubChem CID 87163818) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide
PubChem CID87163818
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC NameN-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide
SMILESO=C(CCCCCCOCCC(F)(F)F)NCCO
InChIInChI=1S/C12H22F3NO3/c13-12(14,15)6-10-19-9-4-2-1-3-5-11(18)16-7-8-17/h17H,1-10H2,(H,16,18)
InChIKeyYPEYZACUTORUAL-UHFFFAOYSA-N
XLogP2.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.01
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-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide?
The IUPAC name of N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide (CID 87163818) is N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide?
The canonical SMILES for N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide is O=C(CCCCCCOCCC(F)(F)F)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide?
The InChIKey is YPEYZACUTORUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c13-12(14,15)6-10-19-9-4-2-1-3-5-11(18)16-7-8-17/h17H,1-10H2,(H,16,18).
What are the key properties of N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide?
N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide has a molecular weight of 285.31 g/mol, XLogP of 2.01, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-7-(3,3,3-trifluoropropoxy)heptanamide is sourced from PubChem (CID 87163818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).