10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene

C28H38F6 — CID 142216743

IUPAC10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene
SMILESFC(F)(F)CCC1C2CCCCC2C2=C(C3CCCC4CCC5CCCC2C5C43)C1C(F)(F)F
InChIInChI=1S/C28H38F6/c29-27(30,31)14-13-19-17-7-1-2-8-18(17)24-20-9-3-5-15-11-12-16-6-4-10-21(23(16)22(15)20)25(24)26(19)28(32,33)34/h15-23,26H,1-14H2
InChIKeyDYEVZIAOTRYIKE-UHFFFAOYSA-N
MW488.60 g/mol
LogP9.11
Rot. Bonds2

About 10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene

10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene (PubChem CID 142216743) has the molecular formula C28H38F6 and a molecular weight of 488.60 g/mol. Its IUPAC name is 10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene.

Molecular Properties

Compound Name10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene
PubChem CID142216743
Molecular FormulaC28H38F6
Molecular Weight488.60 g/mol
Exact Mass488.29
IUPAC Name10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene
SMILESFC(F)(F)CCC1C2CCCCC2C2=C(C3CCCC4CCC5CCCC2C5C43)C1C(F)(F)F
InChIInChI=1S/C28H38F6/c29-27(30,31)14-13-19-17-7-1-2-8-18(17)24-20-9-3-5-15-11-12-16-6-4-10-21(23(16)22(15)20)25(24)26(19)28(32,33)34/h15-23,26H,1-14H2
InChIKeyDYEVZIAOTRYIKE-UHFFFAOYSA-N
XLogP9.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene?
The IUPAC name of 10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene (CID 142216743) is 10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene.
What is the SMILES notation for 10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene?
The canonical SMILES for 10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene is FC(F)(F)CCC1C2CCCCC2C2=C(C3CCCC4CCC5CCCC2C5C43)C1C(F)(F)F.
What is the InChIKey of 10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene?
The InChIKey is DYEVZIAOTRYIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F6/c29-27(30,31)14-13-19-17-7-1-2-8-18(17)24-20-9-3-5-15-11-12-16-6-4-10-21(23(16)22(15)20)25(24)26(19)28(32,33)34/h15-23,26H,1-14H2.
What are the key properties of 10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene?
10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene has a molecular weight of 488.60 g/mol, XLogP of 9.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(trifluoromethyl)-9-(3,3,3-trifluoropropyl)hexacyclo[10.10.2.02,11.03,8.016,24.019,23]tetracos-2(11)-ene is sourced from PubChem (CID 142216743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).