2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene

C14H25ClF2O2 — CID 175076424

IUPAC2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene
SMILESCCCC/C=C\CCCCCC.O=C(O)C(F)(F)Cl
InChIInChI=1S/C12H24.C2HClF2O2/c1-3-5-7-9-11-12-10-8-6-4-2;3-2(4,5)1(6)7/h9,11H,3-8,10,12H2,1-2H3;(H,6,7)/b11-9-;
InChIKeyGCLGTRIQVCIRJS-KSIDEHCFSA-N
MW298.80 g/mol
LogP5.61
Rot. Bonds9

About 2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene

2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene (PubChem CID 175076424) has the molecular formula C14H25ClF2O2 and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene.

Molecular Properties

Compound Name2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene
PubChem CID175076424
Molecular FormulaC14H25ClF2O2
Molecular Weight298.80 g/mol
Exact Mass298.15
IUPAC Name2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene
SMILESCCCC/C=C\CCCCCC.O=C(O)C(F)(F)Cl
InChIInChI=1S/C12H24.C2HClF2O2/c1-3-5-7-9-11-12-10-8-6-4-2;3-2(4,5)1(6)7/h9,11H,3-8,10,12H2,1-2H3;(H,6,7)/b11-9-;
InChIKeyGCLGTRIQVCIRJS-KSIDEHCFSA-N
XLogP5.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.80
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;(Z)-octadec-9-ene
CID 87599003
acetic acid;(E)-tetradec-7-ene
CID 174697247
carbamic acid;methane;(Z)-tetradec-5-ene
CID 174913616
tetradecanoic acid;tetradec-9-enoic acid
CID 162088286
nonadec-5-ene
CID 543596
docos-5-ene
CID 54227700
but-2-enoic acid;(Z)-hexadec-5-ene
CID 175450029
(E)-hexadec-8-enoic acid
CID 6430788
heptacos-7-enoic acid
CID 169277112
(Z)-(1,2,3,7,8-13C5)octadec-9-enoic acid
CID 117064632
(E)-hexadec-11-enoic acid
CID 5312413
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene?
The IUPAC name of 2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene (CID 175076424) is 2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene.
What is the SMILES notation for 2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene?
The canonical SMILES for 2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene is CCCC/C=C\CCCCCC.O=C(O)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene?
The InChIKey is GCLGTRIQVCIRJS-KSIDEHCFSA-N. The full InChI is InChI=1S/C12H24.C2HClF2O2/c1-3-5-7-9-11-12-10-8-6-4-2;3-2(4,5)1(6)7/h9,11H,3-8,10,12H2,1-2H3;(H,6,7)/b11-9-;.
What are the key properties of 2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene?
2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene has a molecular weight of 298.80 g/mol, XLogP of 5.61, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoroacetic acid;(Z)-dodec-5-ene is sourced from PubChem (CID 175076424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).