1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride

C7H10ClF3O2S — CID 114827468

IUPAC1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(C1CCCC1)C(F)(F)F
InChIInChI=1S/C7H10ClF3O2S/c8-14(12,13)6(7(9,10)11)5-3-1-2-4-5/h5-6H,1-4H2
InChIKeyVBCQWDJMEHGHMU-UHFFFAOYSA-N
MW250.67 g/mol
LogP2.68
Rot. Bonds2

About 1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride

1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride (PubChem CID 114827468) has the molecular formula C7H10ClF3O2S and a molecular weight of 250.67 g/mol. Its IUPAC name is 1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride.

Molecular Properties

Compound Name1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride
PubChem CID114827468
Molecular FormulaC7H10ClF3O2S
Molecular Weight250.67 g/mol
Exact Mass250.00
IUPAC Name1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(C1CCCC1)C(F)(F)F
InChIInChI=1S/C7H10ClF3O2S/c8-14(12,13)6(7(9,10)11)5-3-1-2-4-5/h5-6H,1-4H2
InChIKeyVBCQWDJMEHGHMU-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.67
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride?
The IUPAC name of 1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride (CID 114827468) is 1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride.
What is the SMILES notation for 1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride?
The canonical SMILES for 1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride is O=S(=O)(Cl)C(C1CCCC1)C(F)(F)F.
What is the InChIKey of 1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride?
The InChIKey is VBCQWDJMEHGHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3O2S/c8-14(12,13)6(7(9,10)11)5-3-1-2-4-5/h5-6H,1-4H2.
What are the key properties of 1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride?
1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride has a molecular weight of 250.67 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2,2,2-trifluoroethanesulfonyl chloride is sourced from PubChem (CID 114827468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).