1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol

C16H24F6O2 — CID 58330634

IUPAC1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
SMILESCC(O)(C1CCCC2C1CCCC2C(C)(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H24F6O2/c1-13(23,15(17,18)19)11-7-3-6-10-9(11)5-4-8-12(10)14(2,24)16(20,21)22/h9-12,23-24H,3-8H2,1-2H3
InChIKeySFCLDYBBEWEQAC-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.45
Rot. Bonds2

About 1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol

1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol (PubChem CID 58330634) has the molecular formula C16H24F6O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
PubChem CID58330634
Molecular FormulaC16H24F6O2
Molecular Weight362.35 g/mol
Exact Mass362.17
IUPAC Name1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol
SMILESCC(O)(C1CCCC2C1CCCC2C(C)(O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H24F6O2/c1-13(23,15(17,18)19)11-7-3-6-10-9(11)5-4-8-12(10)14(2,24)16(20,21)22/h9-12,23-24H,3-8H2,1-2H3
InChIKeySFCLDYBBEWEQAC-UHFFFAOYSA-N
XLogP4.45
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-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-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol (CID 58330634) is 1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-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-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol is CC(O)(C1CCCC2C1CCCC2C(C)(O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol?
The InChIKey is SFCLDYBBEWEQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F6O2/c1-13(23,15(17,18)19)11-7-3-6-10-9(11)5-4-8-12(10)14(2,24)16(20,21)22/h9-12,23-24H,3-8H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol?
1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol has a molecular weight of 362.35 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]propan-2-ol is sourced from PubChem (CID 58330634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).