2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene

C11H7BrClFS — CID 81462064

IUPAC2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene
SMILESFc1cccc(C(Br)c2cccs2)c1Cl
InChIInChI=1S/C11H7BrClFS/c12-10(9-5-2-6-15-9)7-3-1-4-8(14)11(7)13/h1-6,10H
InChIKeyNFMQVCIORQQWDV-UHFFFAOYSA-N
MW305.60 g/mol
LogP5.02
Rot. Bonds2

About 2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene

2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene (PubChem CID 81462064) has the molecular formula C11H7BrClFS and a molecular weight of 305.60 g/mol. Its IUPAC name is 2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene
PubChem CID81462064
Molecular FormulaC11H7BrClFS
Molecular Weight305.60 g/mol
Exact Mass303.91
IUPAC Name2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene
SMILESFc1cccc(C(Br)c2cccs2)c1Cl
InChIInChI=1S/C11H7BrClFS/c12-10(9-5-2-6-15-9)7-3-1-4-8(14)11(7)13/h1-6,10H
InChIKeyNFMQVCIORQQWDV-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.60
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo-(2,3-dichlorophenyl)methyl]thiophene
CID 63442411
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461691
1-[bromo-(2-chloro-3-fluorophenyl)methyl]-4-fluoronaphthalene
CID 81449447
2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene
CID 79596911
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461531
(R)-(2,3-difluorophenyl)-thiophen-2-ylmethanamine
CID 94532686
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 81453728
3-[2-bromo-2-(2-chloro-3-fluorophenyl)ethyl]thiophene
CID 81462005
(2-fluorophenyl)-thiophen-2-ylmethanamine
CID 43186746
(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454040
1-[1-bromo-2-(3-bromophenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461930

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene?
The IUPAC name of 2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene (CID 81462064) is 2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene.
What is the SMILES notation for 2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene?
The canonical SMILES for 2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene is Fc1cccc(C(Br)c2cccs2)c1Cl.
What is the InChIKey of 2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene?
The InChIKey is NFMQVCIORQQWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFS/c12-10(9-5-2-6-15-9)7-3-1-4-8(14)11(7)13/h1-6,10H.
What are the key properties of 2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene?
2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene has a molecular weight of 305.60 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2-chloro-3-fluorophenyl)methyl]thiophene is sourced from PubChem (CID 81462064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).