1-tert-butyl-5-fluoronaphthalene

C14H15F — CID 14176344

IUPAC1-tert-butyl-5-fluoronaphthalene
SMILESCC(C)(C)c1cccc2c(F)cccc12
InChIInChI=1S/C14H15F/c1-14(2,3)12-8-4-7-11-10(12)6-5-9-13(11)15/h4-9H,1-3H3
InChIKeyCXOPDNFZYASGDS-UHFFFAOYSA-N
MW202.27 g/mol
LogP4.28
Rot. Bonds

About 1-tert-butyl-5-fluoronaphthalene

1-tert-butyl-5-fluoronaphthalene (PubChem CID 14176344) has the molecular formula C14H15F and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-tert-butyl-5-fluoronaphthalene.

Molecular Properties

Compound Name1-tert-butyl-5-fluoronaphthalene
PubChem CID14176344
Molecular FormulaC14H15F
Molecular Weight202.27 g/mol
Exact Mass202.12
IUPAC Name1-tert-butyl-5-fluoronaphthalene
SMILESCC(C)(C)c1cccc2c(F)cccc12
InChIInChI=1S/C14H15F/c1-14(2,3)12-8-4-7-11-10(12)6-5-9-13(11)15/h4-9H,1-3H3
InChIKeyCXOPDNFZYASGDS-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5-ditert-butyl-1-fluoronaphthalene
CID 162194038
1,5-bis(1,1-difluoro-2,2-dimethylpropyl)naphthalene
CID 139893704
3-tert-butyl-4,6-difluorodibenzothiophene
CID 153242561
1-tert-butyl-3-fluoro-2-pentan-2-ylbenzene
CID 166767339
2-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrobromide
CID 84711385
1-(4-bromo-2-methylbutan-2-yl)-4-fluoronaphthalene
CID 79838304
3-(4-fluoronaphthalen-1-yl)-3-methylbutan-1-ol
CID 79838193
N-[(5-fluoronaphthalen-1-yl)methyl]-2-methylpropan-2-amine
CID 164935784
1-[1-(5-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)-2-methylpropan-2-yl]-4-fluoronaphthalene
CID 170193089
1-tert-butyl-2-[2-(2-tert-butylphenyl)propan-2-yl]benzene
CID 101326641
N-(2-tert-butylphenyl)-6-fluoro-N-methyldibenzothiophen-4-amine
CID 134528024
bis(2,6-ditert-butylphenyl) fluoro phosphite
CID 67572261

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-fluoronaphthalene?
The IUPAC name of 1-tert-butyl-5-fluoronaphthalene (CID 14176344) is 1-tert-butyl-5-fluoronaphthalene.
What is the SMILES notation for 1-tert-butyl-5-fluoronaphthalene?
The canonical SMILES for 1-tert-butyl-5-fluoronaphthalene is CC(C)(C)c1cccc2c(F)cccc12.
What is the InChIKey of 1-tert-butyl-5-fluoronaphthalene?
The InChIKey is CXOPDNFZYASGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F/c1-14(2,3)12-8-4-7-11-10(12)6-5-9-13(11)15/h4-9H,1-3H3.
What are the key properties of 1-tert-butyl-5-fluoronaphthalene?
1-tert-butyl-5-fluoronaphthalene has a molecular weight of 202.27 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-fluoronaphthalene is sourced from PubChem (CID 14176344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).