2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane

C14H14BrF3 — CID 63438557

IUPAC2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane
SMILESFc1cc(F)c(C(Br)C2CC3CCC2C3)c(F)c1
InChIInChI=1S/C14H14BrF3/c15-14(10-4-7-1-2-8(10)3-7)13-11(17)5-9(16)6-12(13)18/h5-8,10,14H,1-4H2
InChIKeyCUAYLGSQLBCHAE-UHFFFAOYSA-N
MW319.16 g/mol
LogP4.98
Rot. Bonds2

About 2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane

2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane (PubChem CID 63438557) has the molecular formula C14H14BrF3 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane
PubChem CID63438557
Molecular FormulaC14H14BrF3
Molecular Weight319.16 g/mol
Exact Mass318.02
IUPAC Name2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane
SMILESFc1cc(F)c(C(Br)C2CC3CCC2C3)c(F)c1
InChIInChI=1S/C14H14BrF3/c15-14(10-4-7-1-2-8(10)3-7)13-11(17)5-9(16)6-12(13)18/h5-8,10,14H,1-4H2
InChIKeyCUAYLGSQLBCHAE-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 54.98
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

2-[bromo-(2,4,5-trifluorophenyl)methyl]bicyclo[2.2.1]heptane
CID 103304222
2-[bromo-(2,4,6-trimethoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 63438798
2-[2-chloro-2-(2,4,6-trifluorophenyl)ethyl]bicyclo[2.2.1]heptane
CID 63430426
2-(dibromomethyl)bicyclo[2.2.1]heptane
CID 68736675
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 104546461
[1-(2-bicyclo[2.2.1]heptanyl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105413002
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 79710529
2-[(5-bromo-4-fluoro-2-methoxyphenyl)-chloromethyl]bicyclo[2.2.1]heptane
CID 103396366
2-[2-bicyclo[2.2.1]heptanyl(bromo)methyl]-6-methoxynaphthalene
CID 63443862
2-bicyclo[2.2.1]heptanyl-(4-bromo-5-chloro-2-fluorophenyl)methanamine
CID 105398582
7-[2-bicyclo[2.2.1]heptanyl(bromo)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 63437502
2-[bromo-[4-(2-methylpropyl)phenyl]methyl]bicyclo[2.2.1]heptane
CID 63435569

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane?
The IUPAC name of 2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane (CID 63438557) is 2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane?
The canonical SMILES for 2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane is Fc1cc(F)c(C(Br)C2CC3CCC2C3)c(F)c1.
What is the InChIKey of 2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane?
The InChIKey is CUAYLGSQLBCHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3/c15-14(10-4-7-1-2-8(10)3-7)13-11(17)5-9(16)6-12(13)18/h5-8,10,14H,1-4H2.
What are the key properties of 2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane?
2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane has a molecular weight of 319.16 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,4,6-trifluorophenyl)methyl]bicyclo[2.2.1]heptane is sourced from PubChem (CID 63438557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).