ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide

C11H20F3NO — CID 144507421

IUPACethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide
SMILESCC.CC1CCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO.C2H6/c1-6-2-3-7(4-6)13-8(14)5-9(10,11)12;1-2/h6-7H,2-5H2,1H3,(H,13,14);1-2H3
InChIKeyQVNQSVDWZFKDLL-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.27
Rot. Bonds2

About ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide

ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide (PubChem CID 144507421) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide.

Molecular Properties

Compound Nameethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide
PubChem CID144507421
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Nameethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide
SMILESCC.CC1CCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C9H14F3NO.C2H6/c1-6-2-3-7(4-6)13-8(14)5-9(10,11)12;1-2/h6-7H,2-5H2,1H3,(H,13,14);1-2H3
InChIKeyQVNQSVDWZFKDLL-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide?
The IUPAC name of ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide (CID 144507421) is ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide.
What is the SMILES notation for ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide?
The canonical SMILES for ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide is CC.CC1CCC(NC(=O)CC(F)(F)F)C1.
What is the InChIKey of ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide?
The InChIKey is QVNQSVDWZFKDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO.C2H6/c1-6-2-3-7(4-6)13-8(14)5-9(10,11)12;1-2/h6-7H,2-5H2,1H3,(H,13,14);1-2H3.
What are the key properties of ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide?
ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide has a molecular weight of 239.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,3-trifluoro-N-(3-methylcyclopentyl)propanamide is sourced from PubChem (CID 144507421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).