(2,3,4,5-tetrafluorophenyl) pentanoate

C11H10F4O2 — CID 174399623

IUPAC(2,3,4,5-tetrafluorophenyl) pentanoate
SMILESCCCCC(=O)Oc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F4O2/c1-2-3-4-8(16)17-7-5-6(12)9(13)11(15)10(7)14/h5H,2-4H2,1H3
InChIKeyRSUAWUDRVUUDFC-UHFFFAOYSA-N
MW250.19 g/mol
LogP3.34
Rot. Bonds4

About (2,3,4,5-tetrafluorophenyl) pentanoate

(2,3,4,5-tetrafluorophenyl) pentanoate (PubChem CID 174399623) has the molecular formula C11H10F4O2 and a molecular weight of 250.19 g/mol. Its IUPAC name is (2,3,4,5-tetrafluorophenyl) pentanoate.

Molecular Properties

Compound Name(2,3,4,5-tetrafluorophenyl) pentanoate
PubChem CID174399623
Molecular FormulaC11H10F4O2
Molecular Weight250.19 g/mol
Exact Mass250.06
IUPAC Name(2,3,4,5-tetrafluorophenyl) pentanoate
SMILESCCCCC(=O)Oc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C11H10F4O2/c1-2-3-4-8(16)17-7-5-6(12)9(13)11(15)10(7)14/h5H,2-4H2,1H3
InChIKeyRSUAWUDRVUUDFC-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2,4-difluorophenyl) pentanoate
CID 175420455
[2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate
CID 54239490
(2,3,4,5-tetrafluorophenyl) 2-oxopropanoate
CID 143785419
[3,6,7,10,11-penta(undecanoyloxy)triphenylen-2-yl] undecanoate
CID 131883737
[3,6,7,10,11-penta(dodecanoyloxy)triphenylen-2-yl] dodecanoate
CID 101120967
[3,6,7,10,11,14,15-hepta(nonanoyloxy)tetraphenylen-2-yl] nonanoate
CID 102175118
[3,6,7,10,11-penta(nonanoyloxy)triphenylen-2-yl] nonanoate
CID 131883736
(2-pentanoyloxyphenyl) hexanoate
CID 90024108
[4,10,11,17,18,23,24-hepta(octanoyloxy)-5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaenyl] octanoate
CID 102166673
(4-fluoro-2-nonanoyloxyphenyl) nonanoate
CID 142724563
ethyl 3-methoxy-4-pentanoyloxybenzoate
CID 91527974
(3-fluoro-5-hydroxyphenyl) pentanoate
CID 68904581

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5-tetrafluorophenyl) pentanoate?
The IUPAC name of (2,3,4,5-tetrafluorophenyl) pentanoate (CID 174399623) is (2,3,4,5-tetrafluorophenyl) pentanoate.
What is the SMILES notation for (2,3,4,5-tetrafluorophenyl) pentanoate?
The canonical SMILES for (2,3,4,5-tetrafluorophenyl) pentanoate is CCCCC(=O)Oc1cc(F)c(F)c(F)c1F.
What is the InChIKey of (2,3,4,5-tetrafluorophenyl) pentanoate?
The InChIKey is RSUAWUDRVUUDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F4O2/c1-2-3-4-8(16)17-7-5-6(12)9(13)11(15)10(7)14/h5H,2-4H2,1H3.
What are the key properties of (2,3,4,5-tetrafluorophenyl) pentanoate?
(2,3,4,5-tetrafluorophenyl) pentanoate has a molecular weight of 250.19 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5-tetrafluorophenyl) pentanoate is sourced from PubChem (CID 174399623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).