1-fluoro-4-(2-methylpropyl)naphthalene

C14H15F — CID 58853997

IUPAC1-fluoro-4-(2-methylpropyl)naphthalene
SMILESCC(C)Cc1ccc(F)c2ccccc12
InChIInChI=1S/C14H15F/c1-10(2)9-11-7-8-14(15)13-6-4-3-5-12(11)13/h3-8,10H,9H2,1-2H3
InChIKeyZUCPZOBISQMXNE-UHFFFAOYSA-N
MW202.27 g/mol
LogP4.18
Rot. Bonds2

About 1-fluoro-4-(2-methylpropyl)naphthalene

1-fluoro-4-(2-methylpropyl)naphthalene (PubChem CID 58853997) has the molecular formula C14H15F and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylpropyl)naphthalene.

Molecular Properties

Compound Name1-fluoro-4-(2-methylpropyl)naphthalene
PubChem CID58853997
Molecular FormulaC14H15F
Molecular Weight202.27 g/mol
Exact Mass202.12
IUPAC Name1-fluoro-4-(2-methylpropyl)naphthalene
SMILESCC(C)Cc1ccc(F)c2ccccc12
InChIInChI=1S/C14H15F/c1-10(2)9-11-7-8-14(15)13-6-4-3-5-12(11)13/h3-8,10H,9H2,1-2H3
InChIKeyZUCPZOBISQMXNE-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-methylpropyl)naphthalene?
The IUPAC name of 1-fluoro-4-(2-methylpropyl)naphthalene (CID 58853997) is 1-fluoro-4-(2-methylpropyl)naphthalene.
What is the SMILES notation for 1-fluoro-4-(2-methylpropyl)naphthalene?
The canonical SMILES for 1-fluoro-4-(2-methylpropyl)naphthalene is CC(C)Cc1ccc(F)c2ccccc12.
What is the InChIKey of 1-fluoro-4-(2-methylpropyl)naphthalene?
The InChIKey is ZUCPZOBISQMXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F/c1-10(2)9-11-7-8-14(15)13-6-4-3-5-12(11)13/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-fluoro-4-(2-methylpropyl)naphthalene?
1-fluoro-4-(2-methylpropyl)naphthalene has a molecular weight of 202.27 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylpropyl)naphthalene is sourced from PubChem (CID 58853997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).