ethane;1-ethyl-3-(1-fluoroethoxy)benzene

C12H19FO — CID 170603835

IUPACethane;1-ethyl-3-(1-fluoroethoxy)benzene
SMILESCC.CCc1cccc(OC(C)F)c1
InChIInChI=1S/C10H13FO.C2H6/c1-3-9-5-4-6-10(7-9)12-8(2)11;1-2/h4-8H,3H2,1-2H3;1-2H3
InChIKeyWBSKZKFGMWLCON-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.97
Rot. Bonds3

About ethane;1-ethyl-3-(1-fluoroethoxy)benzene

ethane;1-ethyl-3-(1-fluoroethoxy)benzene (PubChem CID 170603835) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is ethane;1-ethyl-3-(1-fluoroethoxy)benzene.

Molecular Properties

Compound Nameethane;1-ethyl-3-(1-fluoroethoxy)benzene
PubChem CID170603835
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Nameethane;1-ethyl-3-(1-fluoroethoxy)benzene
SMILESCC.CCc1cccc(OC(C)F)c1
InChIInChI=1S/C10H13FO.C2H6/c1-3-9-5-4-6-10(7-9)12-8(2)11;1-2/h4-8H,3H2,1-2H3;1-2H3
InChIKeyWBSKZKFGMWLCON-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-ethylphenoxy)ethanol
CID 66709778
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
4-[1-(3-ethylphenoxy)ethyl]pyridine
CID 70911027
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
3-(3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 114999658
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(3-ethylphenyl) hypoiodite
CID 71211599
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
1-[3-(3-ethylphenoxy)phenyl]propan-2-amine
CID 63942734
(3-ethylphenyl) 3-methylbutanoate
CID 91711230
cumene;ethane;1-ethyl-3-methoxybenzene
CID 171630693
1-ethyl-3-methanidyloxybenzene;yttrium
CID 59798330

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-(1-fluoroethoxy)benzene?
The IUPAC name of ethane;1-ethyl-3-(1-fluoroethoxy)benzene (CID 170603835) is ethane;1-ethyl-3-(1-fluoroethoxy)benzene.
What is the SMILES notation for ethane;1-ethyl-3-(1-fluoroethoxy)benzene?
The canonical SMILES for ethane;1-ethyl-3-(1-fluoroethoxy)benzene is CC.CCc1cccc(OC(C)F)c1.
What is the InChIKey of ethane;1-ethyl-3-(1-fluoroethoxy)benzene?
The InChIKey is WBSKZKFGMWLCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO.C2H6/c1-3-9-5-4-6-10(7-9)12-8(2)11;1-2/h4-8H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-3-(1-fluoroethoxy)benzene?
ethane;1-ethyl-3-(1-fluoroethoxy)benzene has a molecular weight of 198.28 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-(1-fluoroethoxy)benzene is sourced from PubChem (CID 170603835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).