1-(2-bromoethyl)naphthalene;hydrofluoride

C12H12BrF — CID 174588408

IUPAC1-(2-bromoethyl)naphthalene;hydrofluoride
SMILESBrCCc1cccc2ccccc12.F
InChIInChI=1S/C12H11Br.FH/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;/h1-7H,8-9H2;1H
InChIKeyXRGNMPBDGYHXCZ-UHFFFAOYSA-N
MW255.13 g/mol
LogP3.93
Rot. Bonds2

About 1-(2-bromoethyl)naphthalene;hydrofluoride

1-(2-bromoethyl)naphthalene;hydrofluoride (PubChem CID 174588408) has the molecular formula C12H12BrF and a molecular weight of 255.13 g/mol. Its IUPAC name is 1-(2-bromoethyl)naphthalene;hydrofluoride.

Molecular Properties

Compound Name1-(2-bromoethyl)naphthalene;hydrofluoride
PubChem CID174588408
Molecular FormulaC12H12BrF
Molecular Weight255.13 g/mol
Exact Mass254.01
IUPAC Name1-(2-bromoethyl)naphthalene;hydrofluoride
SMILESBrCCc1cccc2ccccc12.F
InChIInChI=1S/C12H11Br.FH/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;/h1-7H,8-9H2;1H
InChIKeyXRGNMPBDGYHXCZ-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.13
LogP ≤ 53.93
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

acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093
2-naphthalen-1-yl-N,N-bis(2-naphthalen-1-ylethyl)ethanamine
CID 129196216
1-bromo-5-(2-bromoethyl)naphthalene
CID 174470711
ethane;2-naphthalen-1-ylethanol
CID 145119048
1-butylnaphthalene;ethane
CID 142087052
1-(2-bromoethyl)phenanthridine
CID 67188154
2-(2-bromoethyl)benzenethiol
CID 22048103
1-[2-(2-chlorophenyl)ethyl]naphthalene
CID 20686215
methanamine;1-propylnaphthalene
CID 174438724
3-naphthalen-1-ylpropan-1-ol
CID 14711518
CID 66760372
CID 66760372
1-(2-bromoethyl)-3-methoxynaphthalene
CID 174397212

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)naphthalene;hydrofluoride?
The IUPAC name of 1-(2-bromoethyl)naphthalene;hydrofluoride (CID 174588408) is 1-(2-bromoethyl)naphthalene;hydrofluoride.
What is the SMILES notation for 1-(2-bromoethyl)naphthalene;hydrofluoride?
The canonical SMILES for 1-(2-bromoethyl)naphthalene;hydrofluoride is BrCCc1cccc2ccccc12.F.
What is the InChIKey of 1-(2-bromoethyl)naphthalene;hydrofluoride?
The InChIKey is XRGNMPBDGYHXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br.FH/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11;/h1-7H,8-9H2;1H.
What are the key properties of 1-(2-bromoethyl)naphthalene;hydrofluoride?
1-(2-bromoethyl)naphthalene;hydrofluoride has a molecular weight of 255.13 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)naphthalene;hydrofluoride is sourced from PubChem (CID 174588408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).