1,1-bis(trifluoromethylsulfonyl)pentane

C7H10F6O4S2 — CID 87352657

IUPAC1,1-bis(trifluoromethylsulfonyl)pentane
SMILESCCCCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F6O4S2/c1-2-3-4-5(18(14,15)6(8,9)10)19(16,17)7(11,12)13/h5H,2-4H2,1H3
InChIKeyQGRSCILUCCQRPC-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.37
Rot. Bonds5

About 1,1-bis(trifluoromethylsulfonyl)pentane

1,1-bis(trifluoromethylsulfonyl)pentane (PubChem CID 87352657) has the molecular formula C7H10F6O4S2 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1,1-bis(trifluoromethylsulfonyl)pentane.

Molecular Properties

Compound Name1,1-bis(trifluoromethylsulfonyl)pentane
PubChem CID87352657
Molecular FormulaC7H10F6O4S2
Molecular Weight336.28 g/mol
Exact Mass335.99
IUPAC Name1,1-bis(trifluoromethylsulfonyl)pentane
SMILESCCCCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H10F6O4S2/c1-2-3-4-5(18(14,15)6(8,9)10)19(16,17)7(11,12)13/h5H,2-4H2,1H3
InChIKeyQGRSCILUCCQRPC-UHFFFAOYSA-N
XLogP2.37
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(trifluoromethylsulfonyl)pentane?
The IUPAC name of 1,1-bis(trifluoromethylsulfonyl)pentane (CID 87352657) is 1,1-bis(trifluoromethylsulfonyl)pentane.
What is the SMILES notation for 1,1-bis(trifluoromethylsulfonyl)pentane?
The canonical SMILES for 1,1-bis(trifluoromethylsulfonyl)pentane is CCCCC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1-bis(trifluoromethylsulfonyl)pentane?
The InChIKey is QGRSCILUCCQRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O4S2/c1-2-3-4-5(18(14,15)6(8,9)10)19(16,17)7(11,12)13/h5H,2-4H2,1H3.
What are the key properties of 1,1-bis(trifluoromethylsulfonyl)pentane?
1,1-bis(trifluoromethylsulfonyl)pentane has a molecular weight of 336.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(trifluoromethylsulfonyl)pentane is sourced from PubChem (CID 87352657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).