1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C12H16F6 — CID 18927710

IUPAC1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESFC(F)(F)C1CCC2CCCCC2C1C(F)(F)F
InChIInChI=1S/C12H16F6/c13-11(14,15)9-6-5-7-3-1-2-4-8(7)10(9)12(16,17)18/h7-10H,1-6H2
InChIKeyFPIHYVNHKCPXSW-UHFFFAOYSA-N
MW274.25 g/mol
LogP4.94
Rot. Bonds

About 1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 18927710) has the molecular formula C12H16F6 and a molecular weight of 274.25 g/mol. Its IUPAC name is 1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID18927710
Molecular FormulaC12H16F6
Molecular Weight274.25 g/mol
Exact Mass274.12
IUPAC Name1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESFC(F)(F)C1CCC2CCCCC2C1C(F)(F)F
InChIInChI=1S/C12H16F6/c13-11(14,15)9-6-5-7-3-1-2-4-8(7)10(9)12(16,17)18/h7-10H,1-6H2
InChIKeyFPIHYVNHKCPXSW-UHFFFAOYSA-N
XLogP4.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 18927710) is 1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is FC(F)(F)C1CCC2CCCCC2C1C(F)(F)F.
What is the InChIKey of 1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is FPIHYVNHKCPXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6/c13-11(14,15)9-6-5-7-3-1-2-4-8(7)10(9)12(16,17)18/h7-10H,1-6H2.
What are the key properties of 1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 274.25 g/mol, XLogP of 4.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(trifluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 18927710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).