carbonic acid;1-ethyl-2-fluorobenzene

C9H11FO3 — CID 174964119

IUPACcarbonic acid;1-ethyl-2-fluorobenzene
SMILESCCc1ccccc1F.O=C(O)O
InChIInChI=1S/C8H9F.CH2O3/c1-2-7-5-3-4-6-8(7)9;2-1(3)4/h3-6H,2H2,1H3;(H2,2,3,4)
InChIKeyHEDFSYZSDBPKDG-UHFFFAOYSA-N
MW186.18 g/mol
LogP2.61
Rot. Bonds1

About carbonic acid;1-ethyl-2-fluorobenzene

carbonic acid;1-ethyl-2-fluorobenzene (PubChem CID 174964119) has the molecular formula C9H11FO3 and a molecular weight of 186.18 g/mol. Its IUPAC name is carbonic acid;1-ethyl-2-fluorobenzene.

Molecular Properties

Compound Namecarbonic acid;1-ethyl-2-fluorobenzene
PubChem CID174964119
Molecular FormulaC9H11FO3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Namecarbonic acid;1-ethyl-2-fluorobenzene
SMILESCCc1ccccc1F.O=C(O)O
InChIInChI=1S/C8H9F.CH2O3/c1-2-7-5-3-4-6-8(7)9;2-1(3)4/h3-6H,2H2,1H3;(H2,2,3,4)
InChIKeyHEDFSYZSDBPKDG-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1-ethyl-2-fluorobenzene
CID 66657049
carbonic acid;1,2-diethylbenzene
CID 89388803
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
(2-ethylphenyl)-(2-fluorophenyl)methanone
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2-deuterio-2-(2-fluorophenyl)acetic acid
CID 139238506
3-(2-fluorophenyl)propanoic acid
CID 2063866
fluoro 2-(2-fluorophenyl)acetate
CID 143971314
1-(2-fluorophenyl)octan-2-one
CID 62620630
(2-fluorophenyl)methyl-methylcarbamic acid
CID 115171049
2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090

Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-ethyl-2-fluorobenzene?
The IUPAC name of carbonic acid;1-ethyl-2-fluorobenzene (CID 174964119) is carbonic acid;1-ethyl-2-fluorobenzene.
What is the SMILES notation for carbonic acid;1-ethyl-2-fluorobenzene?
The canonical SMILES for carbonic acid;1-ethyl-2-fluorobenzene is CCc1ccccc1F.O=C(O)O.
What is the InChIKey of carbonic acid;1-ethyl-2-fluorobenzene?
The InChIKey is HEDFSYZSDBPKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.CH2O3/c1-2-7-5-3-4-6-8(7)9;2-1(3)4/h3-6H,2H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-ethyl-2-fluorobenzene?
carbonic acid;1-ethyl-2-fluorobenzene has a molecular weight of 186.18 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-ethyl-2-fluorobenzene is sourced from PubChem (CID 174964119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).