(Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene

C15H24ClF5 — CID 89198944

IUPAC(Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene
SMILESCC(C)(CCl)CC(C)(C)C/C=C\CCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H24ClF5/c1-12(2,10-13(3,4)11-16)8-6-5-7-9-14(17,18)15(19,20)21/h5-6H,7-11H2,1-4H3/b6-5-
InChIKeyAPOABLSFYDVTAA-WAYWQWQTSA-N
MW334.80 g/mol
LogP6.59
Rot. Bonds8

About (Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene

(Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene (PubChem CID 89198944) has the molecular formula C15H24ClF5 and a molecular weight of 334.80 g/mol. Its IUPAC name is (Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene.

Molecular Properties

Compound Name(Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene
PubChem CID89198944
Molecular FormulaC15H24ClF5
Molecular Weight334.80 g/mol
Exact Mass334.15
IUPAC Name(Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene
SMILESCC(C)(CCl)CC(C)(C)C/C=C\CCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H24ClF5/c1-12(2,10-13(3,4)11-16)8-6-5-7-9-14(17,18)15(19,20)21/h5-6H,7-11H2,1-4H3/b6-5-
InChIKeyAPOABLSFYDVTAA-WAYWQWQTSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.80
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-6-fluoro-4,7,7-trimethyl-4-prop-1-enyloct-2-ene
CID 137391128
5-Chloro-6-fluoro-3,3-dimethylcyclohexene
CID 163600943
6-(Chloromethyl)-1-fluoro-6-(2-methylpropyl)cyclohexa-1,3-diene
CID 170076469
3-(Chloromethyl)-4,4-bis(trifluoromethyl)cyclohexene
CID 101585219
3-Chloro-4-methyl-6-(trifluoromethyl)cyclohexene
CID 162578105
4-(Chloromethyl)-4-(2,2,2-trifluoroethyl)cyclopent-1-ene
CID 164645878
4-(Chloromethyl)-4-(2,2-difluoroethyl)cyclohex-1-ene
CID 165446297
4-(Chloromethyl)-4-(2,2-difluoropropyl)cyclopent-1-ene
CID 165715851
4-(Chloromethyl)-4-(2,2-difluoroethyl)cyclopent-1-ene
CID 165740749
6-Chloro-4,7,7-trimethyl-4-prop-1-enyloct-2-ene
CID 137384581
(E)-5-(chloromethyl)-5-ethyloct-2-ene
CID 146536144
3-(Chloromethyl)-3,5,5-trimethylcyclohexene
CID 154640182

Frequently Asked Questions

What is the IUPAC name of (Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene?
The IUPAC name of (Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene (CID 89198944) is (Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene.
What is the SMILES notation for (Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene?
The canonical SMILES for (Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene is CC(C)(CCl)CC(C)(C)C/C=C\CCC(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene?
The InChIKey is APOABLSFYDVTAA-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H24ClF5/c1-12(2,10-13(3,4)11-16)8-6-5-7-9-14(17,18)15(19,20)21/h5-6H,7-11H2,1-4H3/b6-5-.
What are the key properties of (Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene?
(Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene has a molecular weight of 334.80 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene is sourced from PubChem (CID 89198944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).