[4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride

C10H16ClF3O4S — CID 66277489

IUPAC[4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESCC(OCC1(CS(=O)(=O)Cl)CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16ClF3O4S/c1-8(10(12,13)14)18-6-9(7-19(11,15)16)2-4-17-5-3-9/h8H,2-7H2,1H3
InChIKeyHMSJJGZFUONKHG-UHFFFAOYSA-N
MW324.75 g/mol
LogP2.32
Rot. Bonds5

About [4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride

[4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride (PubChem CID 66277489) has the molecular formula C10H16ClF3O4S and a molecular weight of 324.75 g/mol. Its IUPAC name is [4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
PubChem CID66277489
Molecular FormulaC10H16ClF3O4S
Molecular Weight324.75 g/mol
Exact Mass324.04
IUPAC Name[4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESCC(OCC1(CS(=O)(=O)Cl)CCOCC1)C(F)(F)F
InChIInChI=1S/C10H16ClF3O4S/c1-8(10(12,13)14)18-6-9(7-19(11,15)16)2-4-17-5-3-9/h8H,2-7H2,1H3
InChIKeyHMSJJGZFUONKHG-UHFFFAOYSA-N
XLogP2.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride?
The IUPAC name of [4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride (CID 66277489) is [4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride?
The canonical SMILES for [4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride is CC(OCC1(CS(=O)(=O)Cl)CCOCC1)C(F)(F)F.
What is the InChIKey of [4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride?
The InChIKey is HMSJJGZFUONKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3O4S/c1-8(10(12,13)14)18-6-9(7-19(11,15)16)2-4-17-5-3-9/h8H,2-7H2,1H3.
What are the key properties of [4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride?
[4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride has a molecular weight of 324.75 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1,1-trifluoropropan-2-yloxymethyl)oxan-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 66277489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).