1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene

C12H13Cl2F — CID 170330600

IUPAC1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene
SMILESCC1(c2c(F)ccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C12H13Cl2F/c1-12(6-2-3-7-12)10-9(15)5-4-8(13)11(10)14/h4-5H,2-3,6-7H2,1H3
InChIKeyGOJRREGXVNESLW-UHFFFAOYSA-N
MW247.14 g/mol
LogP4.96
Rot. Bonds1

About 1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene

1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene (PubChem CID 170330600) has the molecular formula C12H13Cl2F and a molecular weight of 247.14 g/mol. Its IUPAC name is 1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene
PubChem CID170330600
Molecular FormulaC12H13Cl2F
Molecular Weight247.14 g/mol
Exact Mass246.04
IUPAC Name1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene
SMILESCC1(c2c(F)ccc(Cl)c2Cl)CCCC1
InChIInChI=1S/C12H13Cl2F/c1-12(6-2-3-7-12)10-9(15)5-4-8(13)11(10)14/h4-5H,2-3,6-7H2,1H3
InChIKeyGOJRREGXVNESLW-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,3-Dichlorobiphenyl
CID 27959
Benzene, 1,2-dichloro-3-ethyl-
CID 521511
2,3,6-Trichloro-4-tert-butyltoluene
CID 173806
Benzene, dichlorocyclohexyl-
CID 3042265
Benzene, 2,3-dichloro-1-methyl-4-(1-methylethyl)-
CID 93468
1,2-Dichloro-3-(prop-1-en-2-yl)benzene
CID 57849929
Dichlorofluoropropylbenzene
CID 83924678
1,2-Dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene
CID 135064888
1-t-Butyl-2,5-dichlorobenzene
CID 18533300
2,3,6-Trichlorocumene
CID 43665
1-Tert-butyl-2,3-dichloro-4-methylbenzene
CID 187498
3,4-Dichloro-2-methylfluorobenzene
CID 11686998

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene?
The IUPAC name of 1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene (CID 170330600) is 1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene?
The canonical SMILES for 1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene is CC1(c2c(F)ccc(Cl)c2Cl)CCCC1.
What is the InChIKey of 1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene?
The InChIKey is GOJRREGXVNESLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F/c1-12(6-2-3-7-12)10-9(15)5-4-8(13)11(10)14/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene?
1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene has a molecular weight of 247.14 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-fluoro-3-(1-methylcyclopentyl)benzene is sourced from PubChem (CID 170330600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).