1-ethyl-6-fluoro-3-propan-2-ylnaphthalene

C15H17F — CID 155691740

IUPAC1-ethyl-6-fluoro-3-propan-2-ylnaphthalene
SMILESCCc1cc(C(C)C)cc2cc(F)ccc12
InChIInChI=1S/C15H17F/c1-4-11-7-12(10(2)3)8-13-9-14(16)5-6-15(11)13/h5-10H,4H2,1-3H3
InChIKeyAOZQMODKRVNRSM-UHFFFAOYSA-N
MW216.30 g/mol
LogP4.66
Rot. Bonds2

About 1-ethyl-6-fluoro-3-propan-2-ylnaphthalene

1-ethyl-6-fluoro-3-propan-2-ylnaphthalene (PubChem CID 155691740) has the molecular formula C15H17F and a molecular weight of 216.30 g/mol. Its IUPAC name is 1-ethyl-6-fluoro-3-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1-ethyl-6-fluoro-3-propan-2-ylnaphthalene
PubChem CID155691740
Molecular FormulaC15H17F
Molecular Weight216.30 g/mol
Exact Mass216.13
IUPAC Name1-ethyl-6-fluoro-3-propan-2-ylnaphthalene
SMILESCCc1cc(C(C)C)cc2cc(F)ccc12
InChIInChI=1S/C15H17F/c1-4-11-7-12(10(2)3)8-13-9-14(16)5-6-15(11)13/h5-10H,4H2,1-3H3
InChIKeyAOZQMODKRVNRSM-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-ethyl-7-fluoronaphthalene
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(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine
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1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene
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2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
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2,6-diethyl-4-propan-2-ylbenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-fluoro-3-propan-2-ylnaphthalene?
The IUPAC name of 1-ethyl-6-fluoro-3-propan-2-ylnaphthalene (CID 155691740) is 1-ethyl-6-fluoro-3-propan-2-ylnaphthalene.
What is the SMILES notation for 1-ethyl-6-fluoro-3-propan-2-ylnaphthalene?
The canonical SMILES for 1-ethyl-6-fluoro-3-propan-2-ylnaphthalene is CCc1cc(C(C)C)cc2cc(F)ccc12.
What is the InChIKey of 1-ethyl-6-fluoro-3-propan-2-ylnaphthalene?
The InChIKey is AOZQMODKRVNRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F/c1-4-11-7-12(10(2)3)8-13-9-14(16)5-6-15(11)13/h5-10H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-fluoro-3-propan-2-ylnaphthalene?
1-ethyl-6-fluoro-3-propan-2-ylnaphthalene has a molecular weight of 216.30 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-fluoro-3-propan-2-ylnaphthalene is sourced from PubChem (CID 155691740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).