(1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane

C7F10 — CID 22829277

IUPAC(1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane
SMILESFC1(F)[C@@]2(F)C(F)(F)[C@@]3(F)[C@@]1(F)C(F)(F)[C@@]23F
InChIInChI=1S/C7F10/c8-1-2(9)4(11,5(1,12)13)7(16,17)3(1,10)6(2,14)15/t1-,2-,3-,4+/m0/s1
InChIKeyGQRWKAMAEHQFNN-LLEIAEIESA-N
MW274.06 g/mol
LogP2.77
Rot. Bonds

About (1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane

(1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane (PubChem CID 22829277) has the molecular formula C7F10 and a molecular weight of 274.06 g/mol. Its IUPAC name is (1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane.

Molecular Properties

Compound Name(1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane
PubChem CID22829277
Molecular FormulaC7F10
Molecular Weight274.06 g/mol
Exact Mass273.98
IUPAC Name(1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane
SMILESFC1(F)[C@@]2(F)C(F)(F)[C@@]3(F)[C@@]1(F)C(F)(F)[C@@]23F
InChIInChI=1S/C7F10/c8-1-2(9)4(11,5(1,12)13)7(16,17)3(1,10)6(2,14)15/t1-,2-,3-,4+/m0/s1
InChIKeyGQRWKAMAEHQFNN-LLEIAEIESA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,3S,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane
CID 10446006
1,2,2,3,4,4,5,6,7,7-Decafluorotricyclo[3.2.0.03,6]heptane
CID 14934727

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane?
The IUPAC name of (1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane (CID 22829277) is (1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane.
What is the SMILES notation for (1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane?
The canonical SMILES for (1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane is FC1(F)[C@@]2(F)C(F)(F)[C@@]3(F)[C@@]1(F)C(F)(F)[C@@]23F.
What is the InChIKey of (1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane?
The InChIKey is GQRWKAMAEHQFNN-LLEIAEIESA-N. The full InChI is InChI=1S/C7F10/c8-1-2(9)4(11,5(1,12)13)7(16,17)3(1,10)6(2,14)15/t1-,2-,3-,4+/m0/s1.
What are the key properties of (1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane?
(1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane has a molecular weight of 274.06 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5S,6S)-1,2,2,3,4,4,5,6,7,7-decafluorotricyclo[3.2.0.03,6]heptane is sourced from PubChem (CID 22829277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).