1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane

C17H21FO — CID 142399346

IUPAC1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane
SMILESCC.Cc1cccc2c(OCC3CC3)c(F)ccc12
InChIInChI=1S/C15H15FO.C2H6/c1-10-3-2-4-13-12(10)7-8-14(16)15(13)17-9-11-5-6-11;1-2/h2-4,7-8,11H,5-6,9H2,1H3;1-2H3
InChIKeyAZVRWWINADGZJM-UHFFFAOYSA-N
MW260.35 g/mol
LogP5.10
Rot. Bonds3

About 1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane

1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane (PubChem CID 142399346) has the molecular formula C17H21FO and a molecular weight of 260.35 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane.

Molecular Properties

Compound Name1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane
PubChem CID142399346
Molecular FormulaC17H21FO
Molecular Weight260.35 g/mol
Exact Mass260.16
IUPAC Name1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane
SMILESCC.Cc1cccc2c(OCC3CC3)c(F)ccc12
InChIInChI=1S/C15H15FO.C2H6/c1-10-3-2-4-13-12(10)7-8-14(16)15(13)17-9-11-5-6-11;1-2/h2-4,7-8,11H,5-6,9H2,1H3;1-2H3
InChIKeyAZVRWWINADGZJM-UHFFFAOYSA-N
XLogP5.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.35
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene
CID 59117163
1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
CID 59382984
2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
CID 143507707
1,2-difluoro-5-methylnaphthalene
CID 54417712
2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109701
2-(cyclopropylmethoxy)-3-fluorobenzoic acid
CID 62650953
8-(cyclopropylmethoxy)-4-ethyl-7-fluoroquinoline
CID 142399474
2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride
CID 84711266
1-[2-(cyclopentylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608312
3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one
CID 117346682
1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene
CID 114225343
1-[2-(cyclohexylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608444

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane?
The IUPAC name of 1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane (CID 142399346) is 1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane.
What is the SMILES notation for 1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane?
The canonical SMILES for 1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane is CC.Cc1cccc2c(OCC3CC3)c(F)ccc12.
What is the InChIKey of 1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane?
The InChIKey is AZVRWWINADGZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO.C2H6/c1-10-3-2-4-13-12(10)7-8-14(16)15(13)17-9-11-5-6-11;1-2/h2-4,7-8,11H,5-6,9H2,1H3;1-2H3.
What are the key properties of 1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane?
1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane has a molecular weight of 260.35 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane is sourced from PubChem (CID 142399346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).