ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene

C19H33FO — CID 143471834

IUPACethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene
SMILESCC.CCCCC(CCCC)c1ccc(F)c(OCC)c1
InChIInChI=1S/C17H27FO.C2H6/c1-4-7-9-14(10-8-5-2)15-11-12-16(18)17(13-15)19-6-3;1-2/h11-14H,4-10H2,1-3H3;1-2H3
InChIKeyKGVNMAQLAQALBQ-UHFFFAOYSA-N
MW296.47 g/mol
LogP6.71
Rot. Bonds9

About ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene

ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene (PubChem CID 143471834) has the molecular formula C19H33FO and a molecular weight of 296.47 g/mol. Its IUPAC name is ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene.

Molecular Properties

Compound Nameethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene
PubChem CID143471834
Molecular FormulaC19H33FO
Molecular Weight296.47 g/mol
Exact Mass296.25
IUPAC Nameethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene
SMILESCC.CCCCC(CCCC)c1ccc(F)c(OCC)c1
InChIInChI=1S/C17H27FO.C2H6/c1-4-7-9-14(10-8-5-2)15-11-12-16(18)17(13-15)19-6-3;1-2/h11-14H,4-10H2,1-3H3;1-2H3
InChIKeyKGVNMAQLAQALBQ-UHFFFAOYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.47
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-octan-4-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 143474899
2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene
CID 155406083
1-fluoro-4-octan-4-yl-2-(trifluoromethoxy)benzene
CID 143474858
4-(3,4-diethoxyphenyl)heptan-1-amine
CID 83923533
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338
4-decan-3-yl-1,2-difluorobenzene
CID 129157108
4-chloro-4-(3-ethoxy-4-fluorophenyl)butanal
CID 87485174
4-(1-butylsulfonylbutan-2-yl)-2-(cyclopropylmethoxy)-1-fluorobenzene
CID 58218476
1-(4-fluoro-3-methoxyphenyl)pentylhydrazine
CID 105293751
1-fluoro-4-octan-4-ylbenzene
CID 70993007
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene?
The IUPAC name of ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene (CID 143471834) is ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene.
What is the SMILES notation for ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene?
The canonical SMILES for ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene is CC.CCCCC(CCCC)c1ccc(F)c(OCC)c1.
What is the InChIKey of ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene?
The InChIKey is KGVNMAQLAQALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FO.C2H6/c1-4-7-9-14(10-8-5-2)15-11-12-16(18)17(13-15)19-6-3;1-2/h11-14H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene?
ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene has a molecular weight of 296.47 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene is sourced from PubChem (CID 143471834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).