2-fluoroethyl 6-bromohexanoate

C8H14BrFO2 — CID 9846

IUPAC2-fluoroethyl 6-bromohexanoate
SMILESO=C(CCCCCBr)OCCF
InChIInChI=1S/C8H14BrFO2/c9-5-3-1-2-4-8(11)12-7-6-10/h1-7H2
InChIKeyVQHIYCJLLDFMMZ-UHFFFAOYSA-N
MW241.10 g/mol
LogP2.45
Rot. Bonds7

About 2-fluoroethyl 6-bromohexanoate

2-fluoroethyl 6-bromohexanoate (PubChem CID 9846) has the molecular formula C8H14BrFO2 and a molecular weight of 241.10 g/mol. Its IUPAC name is 2-fluoroethyl 6-bromohexanoate.

Molecular Properties

Compound Name2-fluoroethyl 6-bromohexanoate
PubChem CID9846
Molecular FormulaC8H14BrFO2
Molecular Weight241.10 g/mol
Exact Mass240.02
IUPAC Name2-fluoroethyl 6-bromohexanoate
SMILESO=C(CCCCCBr)OCCF
InChIInChI=1S/C8H14BrFO2/c9-5-3-1-2-4-8(11)12-7-6-10/h1-7H2
InChIKeyVQHIYCJLLDFMMZ-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(7-bromoheptanoyloxy)ethyl 7-bromoheptanoate
CID 176764920
10-bromodecyl 8-bromooctanoate
CID 71420607
6-(6-bromohexanoyloxy)hexyl 6-bromohexanoate
CID 20500750
8-bromooctyl 7-bromoheptanoate
CID 102434527
9-hydroxynonyl 8-bromooctanoate
CID 71420603
bis(3-bromopropyl) hexanedioate
CID 11188379
bis(4-bromobutyl) butanedioate
CID 90257094
4-O-(2-fluoroethyl) 1-O-(6-nonoxy-6-oxohexyl) butanedioate
CID 162775597
7-bromoheptyl dodecanoate
CID 167312758
nonyl 7-bromoheptanoate
CID 167312747
9-bromononyl octanoate
CID 170743021
bis(2-hydroxyethyl) heptanedioate
CID 58519890

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 6-bromohexanoate?
The IUPAC name of 2-fluoroethyl 6-bromohexanoate (CID 9846) is 2-fluoroethyl 6-bromohexanoate.
What is the SMILES notation for 2-fluoroethyl 6-bromohexanoate?
The canonical SMILES for 2-fluoroethyl 6-bromohexanoate is O=C(CCCCCBr)OCCF.
What is the InChIKey of 2-fluoroethyl 6-bromohexanoate?
The InChIKey is VQHIYCJLLDFMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrFO2/c9-5-3-1-2-4-8(11)12-7-6-10/h1-7H2.
What are the key properties of 2-fluoroethyl 6-bromohexanoate?
2-fluoroethyl 6-bromohexanoate has a molecular weight of 241.10 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 6-bromohexanoate is sourced from PubChem (CID 9846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).