1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol

C14H20F6O — CID 134224504

IUPAC1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol
SMILESCC1CCCC2C1CCCC2C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F6O/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(21,13(15,16)17)14(18,19)20/h8-11,21H,2-7H2,1H3
InChIKeyNLWNKYDLOQSYOY-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.69
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol (PubChem CID 134224504) has the molecular formula C14H20F6O and a molecular weight of 318.30 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol
PubChem CID134224504
Molecular FormulaC14H20F6O
Molecular Weight318.30 g/mol
Exact Mass318.14
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol
SMILESCC1CCCC2C1CCCC2C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H20F6O/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(21,13(15,16)17)14(18,19)20/h8-11,21H,2-7H2,1H3
InChIKeyNLWNKYDLOQSYOY-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol (CID 134224504) is 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol is CC1CCCC2C1CCCC2C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol?
The InChIKey is NLWNKYDLOQSYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(21,13(15,16)17)14(18,19)20/h8-11,21H,2-7H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol has a molecular weight of 318.30 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(5-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)propan-2-ol is sourced from PubChem (CID 134224504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).