2-propylpentyl 2,2,2-trifluoroacetate

C10H17F3O2 — CID 91692877

IUPAC2-propylpentyl 2,2,2-trifluoroacetate
SMILESCCCC(CCC)COC(=O)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-3-5-8(6-4-2)7-15-9(14)10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyDYOYCBCIGGFRPS-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.31
Rot. Bonds6

About 2-propylpentyl 2,2,2-trifluoroacetate

2-propylpentyl 2,2,2-trifluoroacetate (PubChem CID 91692877) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-propylpentyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-propylpentyl 2,2,2-trifluoroacetate
PubChem CID91692877
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2-propylpentyl 2,2,2-trifluoroacetate
SMILESCCCC(CCC)COC(=O)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-3-5-8(6-4-2)7-15-9(14)10(11,12)13/h8H,3-7H2,1-2H3
InChIKeyDYOYCBCIGGFRPS-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylpentyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-propylpentyl 2,2,2-trifluoroacetate (CID 91692877) is 2-propylpentyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-propylpentyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-propylpentyl 2,2,2-trifluoroacetate is CCCC(CCC)COC(=O)C(F)(F)F.
What is the InChIKey of 2-propylpentyl 2,2,2-trifluoroacetate?
The InChIKey is DYOYCBCIGGFRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-3-5-8(6-4-2)7-15-9(14)10(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of 2-propylpentyl 2,2,2-trifluoroacetate?
2-propylpentyl 2,2,2-trifluoroacetate has a molecular weight of 226.24 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpentyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91692877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).