N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide

C9H14F3NO2 — CID 143749458

IUPACN-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide
SMILESO=C(NC1CCCCC1)C(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7(14)8(15)13-6-4-2-1-3-5-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyNXBOMGRGEJFRNZ-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.36
Rot. Bonds2

About N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide

N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide (PubChem CID 143749458) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide.

Molecular Properties

Compound NameN-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide
PubChem CID143749458
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide
SMILESO=C(NC1CCCCC1)C(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7(14)8(15)13-6-4-2-1-3-5-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyNXBOMGRGEJFRNZ-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide?
The IUPAC name of N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide (CID 143749458) is N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide.
What is the SMILES notation for N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide?
The canonical SMILES for N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide is O=C(NC1CCCCC1)C(O)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide?
The InChIKey is NXBOMGRGEJFRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)7(14)8(15)13-6-4-2-1-3-5-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide?
N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide has a molecular weight of 225.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanamide is sourced from PubChem (CID 143749458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).