1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene

C16H17F3O — CID 71242563

IUPAC1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene
SMILESCC(Cc1cccc2ccccc12)OCCC(F)(F)F
InChIInChI=1S/C16H17F3O/c1-12(20-10-9-16(17,18)19)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11H2,1H3
InChIKeyPIRXPWRZAPXBJE-UHFFFAOYSA-N
MW282.31 g/mol
LogP4.74
Rot. Bonds5

About 1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene

1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene (PubChem CID 71242563) has the molecular formula C16H17F3O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene.

Molecular Properties

Compound Name1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene
PubChem CID71242563
Molecular FormulaC16H17F3O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene
SMILESCC(Cc1cccc2ccccc12)OCCC(F)(F)F
InChIInChI=1S/C16H17F3O/c1-12(20-10-9-16(17,18)19)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11H2,1H3
InChIKeyPIRXPWRZAPXBJE-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene?
The IUPAC name of 1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene (CID 71242563) is 1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene.
What is the SMILES notation for 1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene?
The canonical SMILES for 1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene is CC(Cc1cccc2ccccc12)OCCC(F)(F)F.
What is the InChIKey of 1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene?
The InChIKey is PIRXPWRZAPXBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O/c1-12(20-10-9-16(17,18)19)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,12H,9-11H2,1H3.
What are the key properties of 1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene?
1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene has a molecular weight of 282.31 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3,3-trifluoropropoxy)propyl]naphthalene is sourced from PubChem (CID 71242563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).