1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene

C13H9BrF4 — CID 79660470

IUPAC1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene
SMILESFC(F)C(F)(F)C(Br)c1cccc2ccccc12
InChIInChI=1S/C13H9BrF4/c14-11(13(17,18)12(15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H
InChIKeyJALGGYUIPQEOTG-UHFFFAOYSA-N
MW321.11 g/mol
LogP5.18
Rot. Bonds3

About 1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene

1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene (PubChem CID 79660470) has the molecular formula C13H9BrF4 and a molecular weight of 321.11 g/mol. Its IUPAC name is 1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene.

Molecular Properties

Compound Name1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene
PubChem CID79660470
Molecular FormulaC13H9BrF4
Molecular Weight321.11 g/mol
Exact Mass319.98
IUPAC Name1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene
SMILESFC(F)C(F)(F)C(Br)c1cccc2ccccc12
InChIInChI=1S/C13H9BrF4/c14-11(13(17,18)12(15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H
InChIKeyJALGGYUIPQEOTG-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.11
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(1-chloro-2,2,3,3-tetrafluoropropyl)naphthalene
CID 79660379
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
2-fluoro-1,1,2-trinaphthalen-1-ylethanol
CID 102110892
2-fluoro-2-naphthalen-1-ylethanamine
CID 112562724
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1R)-2,2,3,3,3-pentafluoro-1-naphthalen-1-ylpropan-1-amine;hydrochloride
CID 171312597
1-[1-(trifluoromethylsulfanyl)ethyl]naphthalene
CID 175278434
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
CID 94601935
1-(4-bromopentan-2-yl)naphthalene
CID 64720152
1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene
CID 82772676
N'-methyl-1-naphthalen-1-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892912
1-(2,2,2-trifluoro-1-phenylsulfanylethyl)naphthalene
CID 14297319

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene?
The IUPAC name of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene (CID 79660470) is 1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene.
What is the SMILES notation for 1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene?
The canonical SMILES for 1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene is FC(F)C(F)(F)C(Br)c1cccc2ccccc12.
What is the InChIKey of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene?
The InChIKey is JALGGYUIPQEOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF4/c14-11(13(17,18)12(15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H.
What are the key properties of 1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene?
1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene has a molecular weight of 321.11 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2,2,3,3-tetrafluoropropyl)naphthalene is sourced from PubChem (CID 79660470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).