ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide

C13H26F3NO2 — CID 164556173

IUPACethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC.CC.CCCNC(=O)C1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2.2C2H6/c1-2-3-13-7(14)6-4-8(15,5-6)9(10,11)12;2*1-2/h6,15H,2-5H2,1H3,(H,13,14);2*1-2H3
InChIKeyNSCISJGGCYSTTK-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.27
Rot. Bonds3

About ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide

ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 164556173) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Nameethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID164556173
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC Nameethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC.CC.CCCNC(=O)C1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO2.2C2H6/c1-2-3-13-7(14)6-4-8(15,5-6)9(10,11)12;2*1-2/h6,15H,2-5H2,1H3,(H,13,14);2*1-2H3
InChIKeyNSCISJGGCYSTTK-UHFFFAOYSA-N
XLogP3.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide (CID 164556173) is ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide is CC.CC.CCCNC(=O)C1CC(O)(C(F)(F)F)C1.
What is the InChIKey of ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is NSCISJGGCYSTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2.2C2H6/c1-2-3-13-7(14)6-4-8(15,5-6)9(10,11)12;2*1-2/h6,15H,2-5H2,1H3,(H,13,14);2*1-2H3.
What are the key properties of ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide?
ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-N-propyl-3-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 164556173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).