1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene

C11H8Br3F — CID 11825495

IUPAC1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene
SMILESFc1ccc(C2=C(Br)[C@H](Br)C[C@@H]2Br)cc1
InChIInChI=1S/C11H8Br3F/c12-8-5-9(13)11(14)10(8)6-1-3-7(15)4-2-6/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKeyTXIZZLGTWVZGAD-DTWKUNHWSA-N
MW398.90 g/mol
LogP4.86
Rot. Bonds1

About 1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene

1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene (PubChem CID 11825495) has the molecular formula C11H8Br3F and a molecular weight of 398.90 g/mol. Its IUPAC name is 1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene
PubChem CID11825495
Molecular FormulaC11H8Br3F
Molecular Weight398.90 g/mol
Exact Mass395.82
IUPAC Name1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene
SMILESFc1ccc(C2=C(Br)[C@H](Br)C[C@@H]2Br)cc1
InChIInChI=1S/C11H8Br3F/c12-8-5-9(13)11(14)10(8)6-1-3-7(15)4-2-6/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKeyTXIZZLGTWVZGAD-DTWKUNHWSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
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CID 102265696
4-bromo-6-(4-fluorophenyl)pyrimidine
CID 589892
1-fluoro-4-(4-fluorophenyl)benzene;formaldehyde
CID 175463820
1,4-difluorobenzene bromide
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CID 171314194
(1R,7S)-3,5-bis(4-fluorophenyl)-4-azatricyclo[5.2.1.02,6]deca-2,5-diene
CID 10567773
2-[5-(4-fluorophenyl)furan-2-yl]cyclopropan-1-amine
CID 54776118
1-[(S)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171163387
1-[(R)-(2-bromo-4-fluorophenyl)-cyclopentylmethyl]piperazine
CID 171168923
3-(4-fluorophenyl)cyclobut-3-ene-1,2-diol
CID 130142404
3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 63821756

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene?
The IUPAC name of 1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene (CID 11825495) is 1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene?
The canonical SMILES for 1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene is Fc1ccc(C2=C(Br)[C@H](Br)C[C@@H]2Br)cc1.
What is the InChIKey of 1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene?
The InChIKey is TXIZZLGTWVZGAD-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H8Br3F/c12-8-5-9(13)11(14)10(8)6-1-3-7(15)4-2-6/h1-4,8-9H,5H2/t8-,9+/m0/s1.
What are the key properties of 1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene?
1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene has a molecular weight of 398.90 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(3R,5S)-2,3,5-tribromocyclopenten-1-yl]benzene is sourced from PubChem (CID 11825495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).