methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate

C11H16F3NO3 — CID 22574619

IUPACmethyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)CCC(F)(F)F)CCCC1
InChIInChI=1S/C11H16F3NO3/c1-18-9(17)10(5-2-3-6-10)15-8(16)4-7-11(12,13)14/h2-7H2,1H3,(H,15,16)
InChIKeyHMKLVXIGDKQKMH-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.93
Rot. Bonds4

About methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate

methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate (PubChem CID 22574619) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate
PubChem CID22574619
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Namemethyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)CCC(F)(F)F)CCCC1
InChIInChI=1S/C11H16F3NO3/c1-18-9(17)10(5-2-3-6-10)15-8(16)4-7-11(12,13)14/h2-7H2,1H3,(H,15,16)
InChIKeyHMKLVXIGDKQKMH-UHFFFAOYSA-N
XLogP1.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate (CID 22574619) is methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)CCC(F)(F)F)CCCC1.
What is the InChIKey of methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate?
The InChIKey is HMKLVXIGDKQKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-18-9(17)10(5-2-3-6-10)15-8(16)4-7-11(12,13)14/h2-7H2,1H3,(H,15,16).
What are the key properties of methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate?
methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate has a molecular weight of 267.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 22574619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).