2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene

C13H12ClFS — CID 79431470

IUPAC2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
SMILESFc1cccc(C(CCl)Cc2cccs2)c1
InChIInChI=1S/C13H12ClFS/c14-9-11(8-13-5-2-6-16-13)10-3-1-4-12(15)7-10/h1-7,11H,8-9H2
InChIKeyYSQALOJLIYYCTE-UHFFFAOYSA-N
MW254.76 g/mol
LogP4.45
Rot. Bonds4

About 2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene

2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene (PubChem CID 79431470) has the molecular formula C13H12ClFS and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene.

Molecular Properties

Compound Name2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
PubChem CID79431470
Molecular FormulaC13H12ClFS
Molecular Weight254.76 g/mol
Exact Mass254.03
IUPAC Name2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene
SMILESFc1cccc(C(CCl)Cc2cccs2)c1
InChIInChI=1S/C13H12ClFS/c14-9-11(8-13-5-2-6-16-13)10-3-1-4-12(15)7-10/h1-7,11H,8-9H2
InChIKeyYSQALOJLIYYCTE-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 54.45
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-(3-fluorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79440969
[1-(3-fluorophenyl)-2-thiophen-2-ylethyl]hydrazine
CID 105193135
2-[4-bromo-3-(3-fluorophenyl)butyl]thiophene
CID 79432221
1,3-dichloro-2-[3-chloro-2-(3-fluorophenyl)propyl]benzene
CID 79431465
1-(3-fluorophenyl)-N-(1-thiophen-2-ylpropan-2-yl)propan-1-amine
CID 114871253
1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803
4-bromo-2-[3-chloro-2-(3-fluorophenyl)propyl]-1-fluorobenzene
CID 79433235
1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
CID 106273849
5-[3-chloro-2-(3-fluorophenyl)propyl]-2,3-dihydro-1H-indene
CID 79433976
2-(3-bromophenyl)-3-thiophen-2-ylpropan-1-amine
CID 79016135
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
1-(3-fluorophenyl)-1-(thiophen-2-ylmethoxy)propan-2-amine
CID 55019874

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene?
The IUPAC name of 2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene (CID 79431470) is 2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene.
What is the SMILES notation for 2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene?
The canonical SMILES for 2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene is Fc1cccc(C(CCl)Cc2cccs2)c1.
What is the InChIKey of 2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene?
The InChIKey is YSQALOJLIYYCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFS/c14-9-11(8-13-5-2-6-16-13)10-3-1-4-12(15)7-10/h1-7,11H,8-9H2.
What are the key properties of 2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene?
2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene has a molecular weight of 254.76 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(3-fluorophenyl)propyl]thiophene is sourced from PubChem (CID 79431470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).