4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene

C12H15ClF2 — CID 82934974

IUPAC4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene
SMILESCCCC(CCl)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H15ClF2/c1-2-3-10(8-13)6-9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyNSVQHQVZPZISPR-UHFFFAOYSA-N
MW232.70 g/mol
LogP4.16
Rot. Bonds5

About 4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene

4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene (PubChem CID 82934974) has the molecular formula C12H15ClF2 and a molecular weight of 232.70 g/mol. Its IUPAC name is 4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene
PubChem CID82934974
Molecular FormulaC12H15ClF2
Molecular Weight232.70 g/mol
Exact Mass232.08
IUPAC Name4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene
SMILESCCCC(CCl)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H15ClF2/c1-2-3-10(8-13)6-9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyNSVQHQVZPZISPR-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.70
LogP ≤ 54.16
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

1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
1,2-dichloro-4-[2-(chloromethyl)pentyl]benzene
CID 66034318
1,2-difluoro-4-(2-methylpentyl)benzene
CID 143267689
4-chloro-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
CID 103051283
4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
CID 66035206
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
2-[(4-chloro-3-fluorophenyl)methyl]pentan-1-ol
CID 107894917
1-tert-butyl-4-[2-(chloromethyl)pentyl]benzene
CID 66034313
1-chloro-4-[2-(chloromethyl)octyl]benzene
CID 66034614
2-[(4-chloro-3-fluorophenyl)methyl]-N-ethylpentan-1-amine
CID 107897120
3-[(4-chlorophenyl)methyl]hexan-1-ol
CID 143267872
1-[2-(chloromethyl)octyl]-4-fluorobenzene
CID 66034373

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene?
The IUPAC name of 4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene (CID 82934974) is 4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene is CCCC(CCl)Cc1ccc(F)c(F)c1.
What is the InChIKey of 4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene?
The InChIKey is NSVQHQVZPZISPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2/c1-2-3-10(8-13)6-9-4-5-11(14)12(15)7-9/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene?
4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene has a molecular weight of 232.70 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene is sourced from PubChem (CID 82934974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).