3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal

C14H20F4O2 — CID 174537535

IUPAC3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal
SMILESO=CC(O)(CC1CCCC2CC(F)CCC21)C(F)(F)F
InChIInChI=1S/C14H20F4O2/c15-11-4-5-12-9(6-11)2-1-3-10(12)7-13(20,8-19)14(16,17)18/h8-12,20H,1-7H2
InChIKeyCRIFUFXLOQNHIH-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.42
Rot. Bonds3

About 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal

3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal (PubChem CID 174537535) has the molecular formula C14H20F4O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal
PubChem CID174537535
Molecular FormulaC14H20F4O2
Molecular Weight296.30 g/mol
Exact Mass296.14
IUPAC Name3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal
SMILESO=CC(O)(CC1CCCC2CC(F)CCC21)C(F)(F)F
InChIInChI=1S/C14H20F4O2/c15-11-4-5-12-9(6-11)2-1-3-10(12)7-13(20,8-19)14(16,17)18/h8-12,20H,1-7H2
InChIKeyCRIFUFXLOQNHIH-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal with MolForge

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Related Compounds

7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 88586098
2-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanal
CID 174537537
2-[(5,7-Dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxypropanal
CID 174551921
2-fluoro-2-(2,2,2-trifluoro-1,1-dihydroxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-1-carbaldehyde
CID 175190334
Hydroxy trans-decalin aldehyde
CID 171392739

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal?
The IUPAC name of 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal (CID 174537535) is 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal.
What is the SMILES notation for 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal?
The canonical SMILES for 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal is O=CC(O)(CC1CCCC2CC(F)CCC21)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal?
The InChIKey is CRIFUFXLOQNHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4O2/c15-11-4-5-12-9(6-11)2-1-3-10(12)7-13(20,8-19)14(16,17)18/h8-12,20H,1-7H2.
What are the key properties of 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal?
3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal has a molecular weight of 296.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)methyl]-2-hydroxypropanal is sourced from PubChem (CID 174537535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).