(1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene

C10F12 — CID 101067141

IUPAC(1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene
SMILESFC1=C(F)[C@]2(F)[C@](F)(C1(F)F)[C@@]1(F)C(F)=C(F)[C@]2(F)C1(F)F
InChIInChI=1S/C10F12/c11-1-2(12)7(17)9(20)5(15,6(1,16)10(7,21)22)3(13)4(14)8(9,18)19/t5-,6-,7+,9-/m1/s1
InChIKeyJWLKYWSQXBLDPM-JAGXHNFQSA-N
MW348.09 g/mol
LogP4.43
Rot. Bonds

About (1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene

(1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 101067141) has the molecular formula C10F12 and a molecular weight of 348.09 g/mol. Its IUPAC name is (1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name(1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID101067141
Molecular FormulaC10F12
Molecular Weight348.09 g/mol
Exact Mass347.98
IUPAC Name(1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene
SMILESFC1=C(F)[C@]2(F)[C@](F)(C1(F)F)[C@@]1(F)C(F)=C(F)[C@]2(F)C1(F)F
InChIInChI=1S/C10F12/c11-1-2(12)7(17)9(20)5(15,6(1,16)10(7,21)22)3(13)4(14)8(9,18)19/t5-,6-,7+,9-/m1/s1
InChIKeyJWLKYWSQXBLDPM-JAGXHNFQSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.09
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene with MolForge

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Related Compounds

CID 600110
CID 600110
CID 20802230
CID 20802230
CID 60058125
CID 60058125
CID 21731944
CID 21731944

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of (1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene (CID 101067141) is (1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for (1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for (1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene is FC1=C(F)[C@]2(F)[C@](F)(C1(F)F)[C@@]1(F)C(F)=C(F)[C@]2(F)C1(F)F.
What is the InChIKey of (1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is JWLKYWSQXBLDPM-JAGXHNFQSA-N. The full InChI is InChI=1S/C10F12/c11-1-2(12)7(17)9(20)5(15,6(1,16)10(7,21)22)3(13)4(14)8(9,18)19/t5-,6-,7+,9-/m1/s1.
What are the key properties of (1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene?
(1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 348.09 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7S)-1,2,3,4,5,5,6,7,8,9,10,10-dodecafluorotricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 101067141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).