2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene

C10H13Cl3S — CID 114876054

IUPAC2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene
SMILESCCC(C)CC(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl3S/c1-3-6(2)4-8(11)7-5-9(12)14-10(7)13/h5-6,8H,3-4H2,1-2H3
InChIKeyCFYIYWSPQPLNPQ-UHFFFAOYSA-N
MW271.64 g/mol
LogP5.77
Rot. Bonds4

About 2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene

2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene (PubChem CID 114876054) has the molecular formula C10H13Cl3S and a molecular weight of 271.64 g/mol. Its IUPAC name is 2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene
PubChem CID114876054
Molecular FormulaC10H13Cl3S
Molecular Weight271.64 g/mol
Exact Mass269.98
IUPAC Name2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene
SMILESCCC(C)CC(Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H13Cl3S/c1-3-6(2)4-8(11)7-5-9(12)14-10(7)13/h5-6,8H,3-4H2,1-2H3
InChIKeyCFYIYWSPQPLNPQ-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.64
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorothiophen-3-yl)-3-methylpentan-1-amine
CID 114874213
(1R)-1-(2,5-dichlorothiophen-3-yl)propan-1-amine
CID 82758613
2,5-dibromo-3-(1-chloro-3-methylpentyl)thiophene
CID 114876055
2,5-dichloro-3-(1-chloro-2-methylpropyl)thiophene
CID 63436827
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
3-(1-bromo-2-methylpropyl)-2,5-dichlorothiophene
CID 63444629
1-(2,5-dichlorothiophen-3-yl)octan-1-amine
CID 43167354
1-chloro-2-(1-chloro-3-methylpentyl)-4,5-diethoxybenzene
CID 114876048
3-(1-bromo-3,4,4-trimethylpentyl)-2,5-dichlorothiophene
CID 63834018
2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene
CID 107965730
3-(1-bromo-2-propylpentyl)-2,5-dichlorothiophene
CID 82987916

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene?
The IUPAC name of 2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene (CID 114876054) is 2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene.
What is the SMILES notation for 2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene?
The canonical SMILES for 2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene is CCC(C)CC(Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene?
The InChIKey is CFYIYWSPQPLNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl3S/c1-3-6(2)4-8(11)7-5-9(12)14-10(7)13/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene?
2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene has a molecular weight of 271.64 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(1-chloro-3-methylpentyl)thiophene is sourced from PubChem (CID 114876054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).