heptyl 2,2,3,3,3-pentafluoropropanoate

C10H15F5O2 — CID 534741

IUPACheptyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5O2/c1-2-3-4-5-6-7-17-8(16)9(11,12)10(13,14)15/h2-7H2,1H3
InChIKeyXVYGQEAPOGQAKL-UHFFFAOYSA-N
MW262.22 g/mol
LogP3.70
Rot. Bonds7

About heptyl 2,2,3,3,3-pentafluoropropanoate

heptyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 534741) has the molecular formula C10H15F5O2 and a molecular weight of 262.22 g/mol. Its IUPAC name is heptyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Nameheptyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID534741
Molecular FormulaC10H15F5O2
Molecular Weight262.22 g/mol
Exact Mass262.10
IUPAC Nameheptyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H15F5O2/c1-2-3-4-5-6-7-17-8(16)9(11,12)10(13,14)15/h2-7H2,1H3
InChIKeyXVYGQEAPOGQAKL-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

Hexanedioic acid, 2,2,3,3,4,4,5,5-octafluoro-, 1,6-diethyl ester
CID 67825
Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, ethyl ester
CID 76555
Ethyl perfluorononan-1-oate
CID 121681
Ethyl perfluoroheptanoate
CID 526468
1H,1H,2H,2H-Perfluorooctyl isobutanoate
CID 2776312
Hexyl heptafluorobutanoate
CID 526452
Octadecyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 537298
Heptadecafluorononanoic acid, propyl ester
CID 2748478
Butyl perfluorooctanoate
CID 2778841
Ethyl 3-(perfluorohexyl)propanoate
CID 11761588
Heptadecafluorononanoic acid, butyl ester
CID 14473827
Eicosyl trifluoroacetate
CID 14574254

Frequently Asked Questions

What is the IUPAC name of heptyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of heptyl 2,2,3,3,3-pentafluoropropanoate (CID 534741) is heptyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for heptyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for heptyl 2,2,3,3,3-pentafluoropropanoate is CCCCCCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of heptyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is XVYGQEAPOGQAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O2/c1-2-3-4-5-6-7-17-8(16)9(11,12)10(13,14)15/h2-7H2,1H3.
What are the key properties of heptyl 2,2,3,3,3-pentafluoropropanoate?
heptyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 262.22 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 534741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).