[(4-fluorophenyl)-phenylmethyl]chloranium

C13H11ClF+ — CID 142220193

IUPAC[(4-fluorophenyl)-phenylmethyl]chloranium
SMILESFc1ccc(C([ClH+])c2ccccc2)cc1
InChIInChI=1S/C13H11ClF/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13-14H/q+1
InChIKeyCTQWKOOPBCZVGR-UHFFFAOYSA-N
MW221.68 g/mol
LogP3.20
Rot. Bonds2

About [(4-fluorophenyl)-phenylmethyl]chloranium

[(4-fluorophenyl)-phenylmethyl]chloranium (PubChem CID 142220193) has the molecular formula C13H11ClF+ and a molecular weight of 221.68 g/mol. Its IUPAC name is [(4-fluorophenyl)-phenylmethyl]chloranium.

Molecular Properties

Compound Name[(4-fluorophenyl)-phenylmethyl]chloranium
PubChem CID142220193
Molecular FormulaC13H11ClF+
Molecular Weight221.68 g/mol
Exact Mass221.05
IUPAC Name[(4-fluorophenyl)-phenylmethyl]chloranium
SMILESFc1ccc(C([ClH+])c2ccccc2)cc1
InChIInChI=1S/C13H11ClF/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13-14H/q+1
InChIKeyCTQWKOOPBCZVGR-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 53.20
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

(4-fluorophenyl)-phenylmethanamine
CID 11183272
ethene;1-fluoro-4-(1-phenylethyl)benzene
CID 144850475
(1R)-N-[1-(4-fluorophenyl)ethyl]-1-phenylethanamine
CID 78956090
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene
CID 134849362
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
(1R,2R)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 134955278
N-[(S)-(4-fluorophenyl)-phenylmethyl]formamide
CID 11499592
1-fluoro-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 132919259
[fluoro(fluoro)methyl]benzene
CID 146164458
fluorobenzene;fluoroform
CID 158907062
1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine
CID 11327045

Frequently Asked Questions

What is the IUPAC name of [(4-fluorophenyl)-phenylmethyl]chloranium?
The IUPAC name of [(4-fluorophenyl)-phenylmethyl]chloranium (CID 142220193) is [(4-fluorophenyl)-phenylmethyl]chloranium.
What is the SMILES notation for [(4-fluorophenyl)-phenylmethyl]chloranium?
The canonical SMILES for [(4-fluorophenyl)-phenylmethyl]chloranium is Fc1ccc(C([ClH+])c2ccccc2)cc1.
What is the InChIKey of [(4-fluorophenyl)-phenylmethyl]chloranium?
The InChIKey is CTQWKOOPBCZVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF/c14-13(10-4-2-1-3-5-10)11-6-8-12(15)9-7-11/h1-9,13-14H/q+1.
What are the key properties of [(4-fluorophenyl)-phenylmethyl]chloranium?
[(4-fluorophenyl)-phenylmethyl]chloranium has a molecular weight of 221.68 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluorophenyl)-phenylmethyl]chloranium is sourced from PubChem (CID 142220193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).