2-fluoroacetic acid;nonylbenzene

C17H27FO2 — CID 162096715

IUPAC2-fluoroacetic acid;nonylbenzene
SMILESCCCCCCCCCc1ccccc1.O=C(O)CF
InChIInChI=1S/C15H24.C2H3FO2/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;3-1-2(4)5/h8,10-11,13-14H,2-7,9,12H2,1H3;1H2,(H,4,5)
InChIKeyZEIOPRJAKCANJN-UHFFFAOYSA-N
MW282.40 g/mol
LogP5.02
Rot. Bonds9

About 2-fluoroacetic acid;nonylbenzene

2-fluoroacetic acid;nonylbenzene (PubChem CID 162096715) has the molecular formula C17H27FO2 and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-fluoroacetic acid;nonylbenzene.

Molecular Properties

Compound Name2-fluoroacetic acid;nonylbenzene
PubChem CID162096715
Molecular FormulaC17H27FO2
Molecular Weight282.40 g/mol
Exact Mass282.20
IUPAC Name2-fluoroacetic acid;nonylbenzene
SMILESCCCCCCCCCc1ccccc1.O=C(O)CF
InChIInChI=1S/C15H24.C2H3FO2/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;3-1-2(4)5/h8,10-11,13-14H,2-7,9,12H2,1H3;1H2,(H,4,5)
InChIKeyZEIOPRJAKCANJN-UHFFFAOYSA-N
XLogP5.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;pentylbenzene
CID 157127683
hexylbenzene;hydrogen peroxide
CID 90001206
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
heptylbenzene;3-methylbutanoic acid
CID 155109045

Frequently Asked Questions

What is the IUPAC name of 2-fluoroacetic acid;nonylbenzene?
The IUPAC name of 2-fluoroacetic acid;nonylbenzene (CID 162096715) is 2-fluoroacetic acid;nonylbenzene.
What is the SMILES notation for 2-fluoroacetic acid;nonylbenzene?
The canonical SMILES for 2-fluoroacetic acid;nonylbenzene is CCCCCCCCCc1ccccc1.O=C(O)CF.
What is the InChIKey of 2-fluoroacetic acid;nonylbenzene?
The InChIKey is ZEIOPRJAKCANJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24.C2H3FO2/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15;3-1-2(4)5/h8,10-11,13-14H,2-7,9,12H2,1H3;1H2,(H,4,5).
What are the key properties of 2-fluoroacetic acid;nonylbenzene?
2-fluoroacetic acid;nonylbenzene has a molecular weight of 282.40 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroacetic acid;nonylbenzene is sourced from PubChem (CID 162096715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).