2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene

C13H7BrClF3 — CID 151685966

IUPAC2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene
SMILESFC(F)(F)C(Cl)=Cc1cc2ccccc2cc1Br
InChIInChI=1S/C13H7BrClF3/c14-11-6-9-4-2-1-3-8(9)5-10(11)7-12(15)13(16,17)18/h1-7H
InChIKeyRBNVLWYMQXNMAB-UHFFFAOYSA-N
MW335.55 g/mol
LogP5.74
Rot. Bonds1

About 2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene

2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene (PubChem CID 151685966) has the molecular formula C13H7BrClF3 and a molecular weight of 335.55 g/mol. Its IUPAC name is 2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene.

Molecular Properties

Compound Name2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene
PubChem CID151685966
Molecular FormulaC13H7BrClF3
Molecular Weight335.55 g/mol
Exact Mass333.94
IUPAC Name2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene
SMILESFC(F)(F)C(Cl)=Cc1cc2ccccc2cc1Br
InChIInChI=1S/C13H7BrClF3/c14-11-6-9-4-2-1-3-8(9)5-10(11)7-12(15)13(16,17)18/h1-7H
InChIKeyRBNVLWYMQXNMAB-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.55
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene
CID 141487041
3-[(E)-1-(3-bromonaphthalen-2-yl)-3,3,3-trifluoroprop-1-en-2-yl]-2-(trifluoromethyl)benzo[f][1]benzofuran
CID 166068183
1-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2-nitrobenzene
CID 101491955
1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-4-phenylbenzene
CID 134838792
[4-bromo-2-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl] acetate
CID 74429811
bromo(trifluoro)methane;naphthalene
CID 159657697
2-(2-chloro-3,3,3-trifluoroprop-1-enyl)-1,3-dimethoxybenzene
CID 54224598
2-(2-bromo-2-fluoroethenyl)naphthalene
CID 71421108
(E)-3-(3,5-dibromophenyl)-1-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 122402631
2-bromo-2,2-difluoro-1-naphthalen-2-ylethanone
CID 56655281
(6R,13R)-2,3-dibromo-6,13-dihydropentacene-6,13-diol
CID 102051426
6-bromobenzo[7]annulen-7-one
CID 14958675

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene?
The IUPAC name of 2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene (CID 151685966) is 2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene.
What is the SMILES notation for 2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene?
The canonical SMILES for 2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene is FC(F)(F)C(Cl)=Cc1cc2ccccc2cc1Br.
What is the InChIKey of 2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene?
The InChIKey is RBNVLWYMQXNMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClF3/c14-11-6-9-4-2-1-3-8(9)5-10(11)7-12(15)13(16,17)18/h1-7H.
What are the key properties of 2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene?
2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene has a molecular weight of 335.55 g/mol, XLogP of 5.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)naphthalene is sourced from PubChem (CID 151685966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).