1-fluoro-5-propylnaphthalene

C13H13F — CID 143275008

IUPAC1-fluoro-5-propylnaphthalene
SMILESCCCc1cccc2c(F)cccc12
InChIInChI=1S/C13H13F/c1-2-5-10-6-3-8-12-11(10)7-4-9-13(12)14/h3-4,6-9H,2,5H2,1H3
InChIKeySPQGSBWZPOLQSW-UHFFFAOYSA-N
MW188.24 g/mol
LogP3.93
Rot. Bonds2

About 1-fluoro-5-propylnaphthalene

1-fluoro-5-propylnaphthalene (PubChem CID 143275008) has the molecular formula C13H13F and a molecular weight of 188.24 g/mol. Its IUPAC name is 1-fluoro-5-propylnaphthalene.

Molecular Properties

Compound Name1-fluoro-5-propylnaphthalene
PubChem CID143275008
Molecular FormulaC13H13F
Molecular Weight188.24 g/mol
Exact Mass188.10
IUPAC Name1-fluoro-5-propylnaphthalene
SMILESCCCc1cccc2c(F)cccc12
InChIInChI=1S/C13H13F/c1-2-5-10-6-3-8-12-11(10)7-4-9-13(12)14/h3-4,6-9H,2,5H2,1H3
InChIKeySPQGSBWZPOLQSW-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 160803924
CID 160803924
methanamine;1-propylnaphthalene
CID 174438724
1-fluoro-2-(2-propylphenyl)benzene
CID 154059621
1-fluoro-7-propylphenanthrene
CID 141032936
2-ethoxy-1,3-dipropylbenzene
CID 14665558
2-fluoro-1-methyl-3-propylbenzene
CID 54557935
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
(2-fluoro-3-propylphenyl)methanamine
CID 139576799
N-ethyl-6-(4-fluoronaphthalen-1-yl)hexan-1-amine
CID 65306558
2-(2-butyl-6-fluorophenoxy)ethanol
CID 58241999
1,3-dimethyl-5-propylnaphthalene
CID 57064883

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-propylnaphthalene?
The IUPAC name of 1-fluoro-5-propylnaphthalene (CID 143275008) is 1-fluoro-5-propylnaphthalene.
What is the SMILES notation for 1-fluoro-5-propylnaphthalene?
The canonical SMILES for 1-fluoro-5-propylnaphthalene is CCCc1cccc2c(F)cccc12.
What is the InChIKey of 1-fluoro-5-propylnaphthalene?
The InChIKey is SPQGSBWZPOLQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F/c1-2-5-10-6-3-8-12-11(10)7-4-9-13(12)14/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 1-fluoro-5-propylnaphthalene?
1-fluoro-5-propylnaphthalene has a molecular weight of 188.24 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-propylnaphthalene is sourced from PubChem (CID 143275008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).