2-bromoethyl 3-(fluoromethyl)benzoate

C10H10BrFO2 — CID 174485566

IUPAC2-bromoethyl 3-(fluoromethyl)benzoate
SMILESO=C(OCCBr)c1cccc(CF)c1
InChIInChI=1S/C10H10BrFO2/c11-4-5-14-10(13)9-3-1-2-8(6-9)7-12/h1-3,6H,4-5,7H2
InChIKeyROBPNGJINMHWAC-UHFFFAOYSA-N
MW261.09 g/mol
LogP2.71
Rot. Bonds4

About 2-bromoethyl 3-(fluoromethyl)benzoate

2-bromoethyl 3-(fluoromethyl)benzoate (PubChem CID 174485566) has the molecular formula C10H10BrFO2 and a molecular weight of 261.09 g/mol. Its IUPAC name is 2-bromoethyl 3-(fluoromethyl)benzoate.

Molecular Properties

Compound Name2-bromoethyl 3-(fluoromethyl)benzoate
PubChem CID174485566
Molecular FormulaC10H10BrFO2
Molecular Weight261.09 g/mol
Exact Mass259.98
IUPAC Name2-bromoethyl 3-(fluoromethyl)benzoate
SMILESO=C(OCCBr)c1cccc(CF)c1
InChIInChI=1S/C10H10BrFO2/c11-4-5-14-10(13)9-3-1-2-8(6-9)7-12/h1-3,6H,4-5,7H2
InChIKeyROBPNGJINMHWAC-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.09
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromoethyl 3-chlorobenzoate
CID 21411127
3-(fluoromethyl)benzoyl chloride
CID 88536338
3-amino-1-[3-(fluoromethyl)phenyl]propan-1-one
CID 117278674
methoxymethyl 3-(2-bromoethyl)benzoate
CID 174378461
4-bromobutyl 3-chlorobenzoate
CID 12029497
propyl 3-(methoxymethyl)benzoate
CID 78846700
prop-2-ynyl 3-(bromomethyl)benzoate
CID 82534112
2-(dimethylamino)ethyl 3-ethylbenzoate
CID 70999207
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-(aminomethyl)benzoate
CID 104563130
3-[4-(3-carboxybenzoyl)oxybutoxycarbonyl]benzoic acid
CID 22226160
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
propyl 3-(3-hydroxypropyl)benzoate
CID 10443536

Frequently Asked Questions

What is the IUPAC name of 2-bromoethyl 3-(fluoromethyl)benzoate?
The IUPAC name of 2-bromoethyl 3-(fluoromethyl)benzoate (CID 174485566) is 2-bromoethyl 3-(fluoromethyl)benzoate.
What is the SMILES notation for 2-bromoethyl 3-(fluoromethyl)benzoate?
The canonical SMILES for 2-bromoethyl 3-(fluoromethyl)benzoate is O=C(OCCBr)c1cccc(CF)c1.
What is the InChIKey of 2-bromoethyl 3-(fluoromethyl)benzoate?
The InChIKey is ROBPNGJINMHWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO2/c11-4-5-14-10(13)9-3-1-2-8(6-9)7-12/h1-3,6H,4-5,7H2.
What are the key properties of 2-bromoethyl 3-(fluoromethyl)benzoate?
2-bromoethyl 3-(fluoromethyl)benzoate has a molecular weight of 261.09 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethyl 3-(fluoromethyl)benzoate is sourced from PubChem (CID 174485566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).