2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene

C14H14Cl2S — CID 79447054

IUPAC2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
SMILESClCC(CCl)(Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H14Cl2S/c15-10-14(11-16,9-13-7-4-8-17-13)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyJFQZPCCPTHIPNC-UHFFFAOYSA-N
MW285.24 g/mol
LogP4.71
Rot. Bonds5

About 2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene

2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene (PubChem CID 79447054) has the molecular formula C14H14Cl2S and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene.

Molecular Properties

Compound Name2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
PubChem CID79447054
Molecular FormulaC14H14Cl2S
Molecular Weight285.24 g/mol
Exact Mass284.02
IUPAC Name2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
SMILESClCC(CCl)(Cc1cccs1)c1ccccc1
InChIInChI=1S/C14H14Cl2S/c15-10-14(11-16,9-13-7-4-8-17-13)12-5-2-1-3-6-12/h1-8H,9-11H2
InChIKeyJFQZPCCPTHIPNC-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 54.71
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

2-phenyl-2-(thiophen-2-ylmethyl)propane-1,3-diol
CID 79450575
2-bromo-5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene
CID 79447333
N-methyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 55107089
N-ethyl-2-phenyl-2-(thiophen-2-ylmethyl)butan-1-amine
CID 62724684
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2-methyl-1,3-thiazole
CID 79446966
2-[4-chloro-3-(chloromethyl)-3-(4-methylphenyl)butyl]thiophene
CID 79446968
2-[2,2-bis(chloromethyl)-3-methylbutyl]thiophene
CID 79447784
2-[4-chloro-3-(chloromethyl)-3-(3-chlorophenyl)butyl]thiophene
CID 79453243
2-[4-chloro-3-(chloromethyl)-3-(3-fluorophenyl)butyl]thiophene
CID 79452893
2-[2-(chloromethyl)-2-methylpentyl]thiophene
CID 66035583
2-methyl-1-thiophen-2-ylpropan-2-amine
CID 13096683
2-benzyl-3-thiophen-2-ylpropane-1,2-diamine
CID 57074689

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene?
The IUPAC name of 2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene (CID 79447054) is 2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene.
What is the SMILES notation for 2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene?
The canonical SMILES for 2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene is ClCC(CCl)(Cc1cccs1)c1ccccc1.
What is the InChIKey of 2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene?
The InChIKey is JFQZPCCPTHIPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2S/c15-10-14(11-16,9-13-7-4-8-17-13)12-5-2-1-3-6-12/h1-8H,9-11H2.
What are the key properties of 2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene?
2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene has a molecular weight of 285.24 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(chloromethyl)-2-phenylpropyl]thiophene is sourced from PubChem (CID 79447054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).