1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane

C9H11F7 — CID 23233287

IUPAC1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane
SMILESFC(F)(F)C(F)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H11F7/c10-7(8(11,12)13,9(14,15)16)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyWLDCNQNAELPYKA-UHFFFAOYSA-N
MW252.17 g/mol
LogP4.40
Rot. Bonds1

About 1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane

1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane (PubChem CID 23233287) has the molecular formula C9H11F7 and a molecular weight of 252.17 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane
PubChem CID23233287
Molecular FormulaC9H11F7
Molecular Weight252.17 g/mol
Exact Mass252.07
IUPAC Name1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane
SMILESFC(F)(F)C(F)(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C9H11F7/c10-7(8(11,12)13,9(14,15)16)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyWLDCNQNAELPYKA-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane (CID 23233287) is 1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane is FC(F)(F)C(F)(C1CCCCC1)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane?
The InChIKey is WLDCNQNAELPYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7/c10-7(8(11,12)13,9(14,15)16)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane?
1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane has a molecular weight of 252.17 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoropropan-2-ylcyclohexane is sourced from PubChem (CID 23233287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).