chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene

C14H13Cl2F — CID 70538509

IUPACchloromethylbenzene;1-(chloromethyl)-4-fluorobenzene
SMILESClCc1ccccc1.Fc1ccc(CCl)cc1
InChIInChI=1S/C7H6ClF.C7H7Cl/c8-5-6-1-3-7(9)4-2-6;8-6-7-4-2-1-3-5-7/h1-4H,5H2;1-5H,6H2
InChIKeyYUMHSTIHPBAXJI-UHFFFAOYSA-N
MW271.16 g/mol
LogP4.99
Rot. Bonds2

About chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene

chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene (PubChem CID 70538509) has the molecular formula C14H13Cl2F and a molecular weight of 271.16 g/mol. Its IUPAC name is chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene.

Molecular Properties

Compound Namechloromethylbenzene;1-(chloromethyl)-4-fluorobenzene
PubChem CID70538509
Molecular FormulaC14H13Cl2F
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Namechloromethylbenzene;1-(chloromethyl)-4-fluorobenzene
SMILESClCc1ccccc1.Fc1ccc(CCl)cc1
InChIInChI=1S/C7H6ClF.C7H7Cl/c8-5-6-1-3-7(9)4-2-6;8-6-7-4-2-1-3-5-7/h1-4H,5H2;1-5H,6H2
InChIKeyYUMHSTIHPBAXJI-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 54.99
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

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chloromethylbenzene;formaldehyde
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1-(chloromethyl)-4-phenylbenzene
CID 15463
chloromethylbenzene;N-methylmethanamine
CID 21478070
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CID 15526238
[4-(chloromethyl)phenyl]-(4-fluorophenyl)methanone
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1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
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Frequently Asked Questions

What is the IUPAC name of chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene?
The IUPAC name of chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene (CID 70538509) is chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene.
What is the SMILES notation for chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene?
The canonical SMILES for chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene is ClCc1ccccc1.Fc1ccc(CCl)cc1.
What is the InChIKey of chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene?
The InChIKey is YUMHSTIHPBAXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF.C7H7Cl/c8-5-6-1-3-7(9)4-2-6;8-6-7-4-2-1-3-5-7/h1-4H,5H2;1-5H,6H2.
What are the key properties of chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene?
chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene has a molecular weight of 271.16 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene;1-(chloromethyl)-4-fluorobenzene is sourced from PubChem (CID 70538509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).