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

C13H26F3NO — CID 164555991

IUPACethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC.CC.CCCNC(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C9H14F3NO.2C2H6/c1-2-6-13-7(14)8(4-3-5-8)9(10,11)12;2*1-2/h2-6H2,1H3,(H,13,14);2*1-2H3
InChIKeyDOMWKOAKLIOPTR-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.30
Rot. Bonds3

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

ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 164555991) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Nameethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID164555991
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Nameethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC.CC.CCCNC(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C9H14F3NO.2C2H6/c1-2-6-13-7(14)8(4-3-5-8)9(10,11)12;2*1-2/h2-6H2,1H3,(H,13,14);2*1-2H3
InChIKeyDOMWKOAKLIOPTR-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 164555991) is ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide is CC.CC.CCCNC(=O)C1(C(F)(F)F)CCC1.
What is the InChIKey of ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is DOMWKOAKLIOPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO.2C2H6/c1-2-6-13-7(14)8(4-3-5-8)9(10,11)12;2*1-2/h2-6H2,1H3,(H,13,14);2*1-2H3.
What are the key properties of ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide?
ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propyl-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 164555991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).