1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C9H14F3NO — CID 143709849

IUPAC1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C9H14F3NO/c1-8(4-2-3-5-8)7(14)13-6-9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyPPLUTFHAKLAYGU-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.25
Rot. Bonds2

About 1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 143709849) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID143709849
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C9H14F3NO/c1-8(4-2-3-5-8)7(14)13-6-9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyPPLUTFHAKLAYGU-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 143709849) is 1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is CC1(C(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of 1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is PPLUTFHAKLAYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-8(4-2-3-5-8)7(14)13-6-9(10,11)12/h2-6H2,1H3,(H,13,14).
What are the key properties of 1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 209.21 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 143709849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).