1-bromo-3-(1-fluoroethyl)benzene;ethane

C10H14BrF — CID 143612621

IUPAC1-bromo-3-(1-fluoroethyl)benzene;ethane
SMILESCC.CC(F)c1cccc(Br)c1
InChIInChI=1S/C8H8BrF.C2H6/c1-6(10)7-3-2-4-8(9)5-7;1-2/h2-6H,1H3;1-2H3
InChIKeyIJPPNKNLVRKMAM-UHFFFAOYSA-N
MW233.12 g/mol
LogP4.51
Rot. Bonds1

About 1-bromo-3-(1-fluoroethyl)benzene;ethane

1-bromo-3-(1-fluoroethyl)benzene;ethane (PubChem CID 143612621) has the molecular formula C10H14BrF and a molecular weight of 233.12 g/mol. Its IUPAC name is 1-bromo-3-(1-fluoroethyl)benzene;ethane.

Molecular Properties

Compound Name1-bromo-3-(1-fluoroethyl)benzene;ethane
PubChem CID143612621
Molecular FormulaC10H14BrF
Molecular Weight233.12 g/mol
Exact Mass232.03
IUPAC Name1-bromo-3-(1-fluoroethyl)benzene;ethane
SMILESCC.CC(F)c1cccc(Br)c1
InChIInChI=1S/C8H8BrF.C2H6/c1-6(10)7-3-2-4-8(9)5-7;1-2/h2-6H,1H3;1-2H3
InChIKeyIJPPNKNLVRKMAM-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 142874111
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CID 130820150
1-(3-bromophenyl)-1-fluoropropan-2-one
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1-bromo-3-[(2R)-but-3-en-2-yl]benzene
CID 42611824
2-(3-bromophenyl)propane-1-thiol
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1-bromo-3-(1,2-dibromoethyl)benzene
CID 139746673
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
N-[1-(3-bromophenyl)ethyl]-3-methylbutan-1-amine
CID 43193038
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
4-(3-bromophenyl)pentan-2-amine
CID 83912731
O-[1-(3-bromophenyl)ethoxy]hydroxylamine
CID 87621823

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(1-fluoroethyl)benzene;ethane?
The IUPAC name of 1-bromo-3-(1-fluoroethyl)benzene;ethane (CID 143612621) is 1-bromo-3-(1-fluoroethyl)benzene;ethane.
What is the SMILES notation for 1-bromo-3-(1-fluoroethyl)benzene;ethane?
The canonical SMILES for 1-bromo-3-(1-fluoroethyl)benzene;ethane is CC.CC(F)c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(1-fluoroethyl)benzene;ethane?
The InChIKey is IJPPNKNLVRKMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF.C2H6/c1-6(10)7-3-2-4-8(9)5-7;1-2/h2-6H,1H3;1-2H3.
What are the key properties of 1-bromo-3-(1-fluoroethyl)benzene;ethane?
1-bromo-3-(1-fluoroethyl)benzene;ethane has a molecular weight of 233.12 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(1-fluoroethyl)benzene;ethane is sourced from PubChem (CID 143612621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).