1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C13H17F7 — CID 14746344

IUPAC1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESFC(F)(F)C(F)(C1CCCC2CCCCC21)C(F)(F)F
InChIInChI=1S/C13H17F7/c14-11(12(15,16)17,13(18,19)20)10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2
InChIKeyYAIGEDHMFGRQTB-UHFFFAOYSA-N
MW306.27 g/mol
LogP5.43
Rot. Bonds1

About 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 14746344) has the molecular formula C13H17F7 and a molecular weight of 306.27 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID14746344
Molecular FormulaC13H17F7
Molecular Weight306.27 g/mol
Exact Mass306.12
IUPAC Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESFC(F)(F)C(F)(C1CCCC2CCCCC21)C(F)(F)F
InChIInChI=1S/C13H17F7/c14-11(12(15,16)17,13(18,19)20)10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2
InChIKeyYAIGEDHMFGRQTB-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.27
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 14746344) is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is FC(F)(F)C(F)(C1CCCC2CCCCC21)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is YAIGEDHMFGRQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F7/c14-11(12(15,16)17,13(18,19)20)10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2.
What are the key properties of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 306.27 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 14746344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).