5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane

C8H14ClF3O2S — CID 88547155

IUPAC5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane
SMILESO=S(=O)(CCCCl)CCCCC(F)(F)F
InChIInChI=1S/C8H14ClF3O2S/c9-5-3-7-15(13,14)6-2-1-4-8(10,11)12/h1-7H2
InChIKeyLFQLCXMOZYAMFQ-UHFFFAOYSA-N
MW266.71 g/mol
LogP2.76
Rot. Bonds7

About 5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane

5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane (PubChem CID 88547155) has the molecular formula C8H14ClF3O2S and a molecular weight of 266.71 g/mol. Its IUPAC name is 5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane.

Molecular Properties

Compound Name5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane
PubChem CID88547155
Molecular FormulaC8H14ClF3O2S
Molecular Weight266.71 g/mol
Exact Mass266.04
IUPAC Name5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane
SMILESO=S(=O)(CCCCl)CCCCC(F)(F)F
InChIInChI=1S/C8H14ClF3O2S/c9-5-3-7-15(13,14)6-2-1-4-8(10,11)12/h1-7H2
InChIKeyLFQLCXMOZYAMFQ-UHFFFAOYSA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chloropropylsulfonyl)-1,1,1-trifluorobutane
CID 88547149
6-(3-chloropropylsulfonyl)-1,1,1,2,2-pentafluorohexane
CID 88547170
1,1,1-trifluoro-4-(4,4,4-trifluorobutylsulfonyl)butane
CID 87090137
6-chloro-1,1,1-trifluorohexane
CID 54556371
3-chloro-N-(4,4,4-trifluorobutyl)propane-1-sulfonamide
CID 115521751
7,7,7-trifluoroheptane-1-sulfonic acid
CID 134206344
2-methyl-7-(3,3,3-trifluoropropylsulfonyl)heptan-2-ol
CID 160780783
azane;7,7,7-trifluoroheptane-1-sulfonic acid
CID 171928985
azane;9,9,9-trifluorononane-1-sulfonic acid
CID 171929032
N-methyl-5-(3,3,3-trifluoropropylsulfonyl)pentan-1-amine
CID 86696867
1-chloro-6-(3-methoxypropylsulfonyl)hexane
CID 63857365
3-chloro-N-methyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 60890473

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane?
The IUPAC name of 5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane (CID 88547155) is 5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane.
What is the SMILES notation for 5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane?
The canonical SMILES for 5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane is O=S(=O)(CCCCl)CCCCC(F)(F)F.
What is the InChIKey of 5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane?
The InChIKey is LFQLCXMOZYAMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF3O2S/c9-5-3-7-15(13,14)6-2-1-4-8(10,11)12/h1-7H2.
What are the key properties of 5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane?
5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane has a molecular weight of 266.71 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloropropylsulfonyl)-1,1,1-trifluoropentane is sourced from PubChem (CID 88547155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).