1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene

C13H15ClF2 — CID 64908376

IUPAC1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
SMILESCC1C(Cl)CCC1Cc1ccc(F)cc1F
InChIInChI=1S/C13H15ClF2/c1-8-9(3-5-12(8)14)6-10-2-4-11(15)7-13(10)16/h2,4,7-9,12H,3,5-6H2,1H3
InChIKeyZGPLJCMTRRLWKT-UHFFFAOYSA-N
MW244.71 g/mol
LogP4.16
Rot. Bonds2

About 1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene

1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene (PubChem CID 64908376) has the molecular formula C13H15ClF2 and a molecular weight of 244.71 g/mol. Its IUPAC name is 1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
PubChem CID64908376
Molecular FormulaC13H15ClF2
Molecular Weight244.71 g/mol
Exact Mass244.08
IUPAC Name1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
SMILESCC1C(Cl)CCC1Cc1ccc(F)cc1F
InChIInChI=1S/C13H15ClF2/c1-8-9(3-5-12(8)14)6-10-2-4-11(15)7-13(10)16/h2,4,7-9,12H,3,5-6H2,1H3
InChIKeyZGPLJCMTRRLWKT-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.71
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-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluoro-2-methylbenzene
CID 114349477
1-bromo-2-[(3-chloro-2-methylcyclopentyl)methyl]-4-fluorobenzene
CID 64910113
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867
3-chloro-4-[(2,4-difluorophenyl)methyl]thiolane
CID 83191354
1-chloro-2-[(3-chloro-2-methylcyclopentyl)methyl]-3-fluorobenzene
CID 64907735
N-[[2-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81017187
3-[(2,5-difluorophenyl)methyl]-2-methylcyclopentan-1-amine
CID 64910057
3-[(4-fluoro-2-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 114349423
1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene
CID 106273167
2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 102568503
N-[[2-[(2,4-difluorophenyl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81033071
3-[(2,4-difluorophenyl)methyl]-N-methylcyclopentan-1-amine
CID 64505887

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene?
The IUPAC name of 1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene (CID 64908376) is 1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene is CC1C(Cl)CCC1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene?
The InChIKey is ZGPLJCMTRRLWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF2/c1-8-9(3-5-12(8)14)6-10-2-4-11(15)7-13(10)16/h2,4,7-9,12H,3,5-6H2,1H3.
What are the key properties of 1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene?
1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene has a molecular weight of 244.71 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-methylcyclopentyl)methyl]-2,4-difluorobenzene is sourced from PubChem (CID 64908376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).