2-(3,3-difluoro-1-methoxypropyl)naphthalene

C14H14F2O — CID 132514348

IUPAC2-(3,3-difluoro-1-methoxypropyl)naphthalene
SMILESCOC(CC(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H14F2O/c1-17-13(9-14(15)16)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13-14H,9H2,1H3
InChIKeyPKSXHYGUGDWKGV-UHFFFAOYSA-N
MW236.26 g/mol
LogP4.18
Rot. Bonds4

About 2-(3,3-difluoro-1-methoxypropyl)naphthalene

2-(3,3-difluoro-1-methoxypropyl)naphthalene (PubChem CID 132514348) has the molecular formula C14H14F2O and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-(3,3-difluoro-1-methoxypropyl)naphthalene.

Molecular Properties

Compound Name2-(3,3-difluoro-1-methoxypropyl)naphthalene
PubChem CID132514348
Molecular FormulaC14H14F2O
Molecular Weight236.26 g/mol
Exact Mass236.10
IUPAC Name2-(3,3-difluoro-1-methoxypropyl)naphthalene
SMILESCOC(CC(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H14F2O/c1-17-13(9-14(15)16)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13-14H,9H2,1H3
InChIKeyPKSXHYGUGDWKGV-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,3-difluoro-1-methoxypropyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoro-1-methoxypropyl)naphthalene?
The IUPAC name of 2-(3,3-difluoro-1-methoxypropyl)naphthalene (CID 132514348) is 2-(3,3-difluoro-1-methoxypropyl)naphthalene.
What is the SMILES notation for 2-(3,3-difluoro-1-methoxypropyl)naphthalene?
The canonical SMILES for 2-(3,3-difluoro-1-methoxypropyl)naphthalene is COC(CC(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 2-(3,3-difluoro-1-methoxypropyl)naphthalene?
The InChIKey is PKSXHYGUGDWKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2O/c1-17-13(9-14(15)16)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13-14H,9H2,1H3.
What are the key properties of 2-(3,3-difluoro-1-methoxypropyl)naphthalene?
2-(3,3-difluoro-1-methoxypropyl)naphthalene has a molecular weight of 236.26 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoro-1-methoxypropyl)naphthalene is sourced from PubChem (CID 132514348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).