3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal

C14H14F4O2 — CID 87840641

IUPAC3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal
SMILESO=CC(O)(CC1CCCc2cc(F)ccc21)C(F)(F)F
InChIInChI=1S/C14H14F4O2/c15-11-4-5-12-9(6-11)2-1-3-10(12)7-13(20,8-19)14(16,17)18/h4-6,8,10,20H,1-3,7H2
InChIKeyJKWMYVGTVHASRY-UHFFFAOYSA-N
MW290.26 g/mol
LogP3.13
Rot. Bonds3

About 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal

3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal (PubChem CID 87840641) has the molecular formula C14H14F4O2 and a molecular weight of 290.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal
PubChem CID87840641
Molecular FormulaC14H14F4O2
Molecular Weight290.26 g/mol
Exact Mass290.09
IUPAC Name3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal
SMILESO=CC(O)(CC1CCCc2cc(F)ccc21)C(F)(F)F
InChIInChI=1S/C14H14F4O2/c15-11-4-5-12-9(6-11)2-1-3-10(12)7-13(20,8-19)14(16,17)18/h4-6,8,10,20H,1-3,7H2
InChIKeyJKWMYVGTVHASRY-UHFFFAOYSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal?
The IUPAC name of 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal (CID 87840641) is 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal.
What is the SMILES notation for 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal?
The canonical SMILES for 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-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-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal?
The InChIKey is JKWMYVGTVHASRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O2/c15-11-4-5-12-9(6-11)2-1-3-10(12)7-13(20,8-19)14(16,17)18/h4-6,8,10,20H,1-3,7H2.
What are the key properties of 3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal?
3,3,3-trifluoro-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal has a molecular weight of 290.26 g/mol, XLogP of 3.13, 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-tetrahydronaphthalen-1-yl)methyl]-2-hydroxypropanal is sourced from PubChem (CID 87840641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).