1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene

C8H10BrF — CID 144915472

IUPAC1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene
SMILESCC(F)C1=C(Br)CCC=C1
InChIInChI=1S/C8H10BrF/c1-6(10)7-4-2-3-5-8(7)9/h2,4,6H,3,5H2,1H3
InChIKeyNSFCMLYDRIOJSD-UHFFFAOYSA-N
MW205.07 g/mol
LogP3.34
Rot. Bonds1

About 1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene

1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene (PubChem CID 144915472) has the molecular formula C8H10BrF and a molecular weight of 205.07 g/mol. Its IUPAC name is 1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene
PubChem CID144915472
Molecular FormulaC8H10BrF
Molecular Weight205.07 g/mol
Exact Mass203.99
IUPAC Name1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene
SMILESCC(F)C1=C(Br)CCC=C1
InChIInChI=1S/C8H10BrF/c1-6(10)7-4-2-3-5-8(7)9/h2,4,6H,3,5H2,1H3
InChIKeyNSFCMLYDRIOJSD-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 139947640
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2-Ethyl-1-fluorocyclohexa-1,3-diene
CID 19009785
1-Bromo-2-fluorocyclohexa-1,3-diene
CID 19428237
1-Bromo-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22041247
5-Bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene
CID 23056494
2-Bromo-1-fluoro-3-methylcyclohexa-1,3-diene
CID 23139023
1-(Bromomethyl)-5-fluoro-5-methylcyclohexa-1,3-diene
CID 66670671
1-Bromo-2,4-difluorotoluene
CID 66969920
5-Bromo-1-fluoro-5-methylcyclohexa-1,3-diene
CID 69796830

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene?
The IUPAC name of 1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene (CID 144915472) is 1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene is CC(F)C1=C(Br)CCC=C1.
What is the InChIKey of 1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene?
The InChIKey is NSFCMLYDRIOJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF/c1-6(10)7-4-2-3-5-8(7)9/h2,4,6H,3,5H2,1H3.
What are the key properties of 1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene?
1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene has a molecular weight of 205.07 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1-fluoroethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 144915472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).