12,12-difluorododec-11-enoyl chloride

C12H19ClF2O — CID 14855873

IUPAC12,12-difluorododec-11-enoyl chloride
SMILESO=C(Cl)CCCCCCCCCC=C(F)F
InChIInChI=1S/C12H19ClF2O/c13-11(16)9-7-5-3-1-2-4-6-8-10-12(14)15/h10H,1-9H2
InChIKeyXHAHKEKQTDBTLV-UHFFFAOYSA-N
MW252.73 g/mol
LogP5.04
Rot. Bonds10

About 12,12-difluorododec-11-enoyl chloride

12,12-difluorododec-11-enoyl chloride (PubChem CID 14855873) has the molecular formula C12H19ClF2O and a molecular weight of 252.73 g/mol. Its IUPAC name is 12,12-difluorododec-11-enoyl chloride.

Molecular Properties

Compound Name12,12-difluorododec-11-enoyl chloride
PubChem CID14855873
Molecular FormulaC12H19ClF2O
Molecular Weight252.73 g/mol
Exact Mass252.11
IUPAC Name12,12-difluorododec-11-enoyl chloride
SMILESO=C(Cl)CCCCCCCCCC=C(F)F
InChIInChI=1S/C12H19ClF2O/c13-11(16)9-7-5-3-1-2-4-6-8-10-12(14)15/h10H,1-9H2
InChIKeyXHAHKEKQTDBTLV-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.73
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12,12-difluorododec-11-en-2-one
CID 19915358
11-oxoundecanoyl chloride
CID 56995388
6,6-difluorohex-5-enoic acid
CID 11298056
6,6-difluorohex-5-enoic acid chloride
CID 86749714
(Z)-octadec-6-enoyl chloride
CID 87496565
(E)-hexadec-9-enoyl chloride
CID 6272807
hexadec-9-enoyl chloride
CID 5109845
(Z)-heptadec-10-enoyl chloride
CID 14430044
methyl (Z)-10-chloro-10-fluorodec-9-enoate
CID 162624096
(Z)-octadec-9-enoyl chloride;dihydrochloride
CID 141041572
hexane-1,6-diol;hexanedioyl dichloride
CID 86756475
6-hydroxyhexanoyl chloride
CID 87077852

Frequently Asked Questions

What is the IUPAC name of 12,12-difluorododec-11-enoyl chloride?
The IUPAC name of 12,12-difluorododec-11-enoyl chloride (CID 14855873) is 12,12-difluorododec-11-enoyl chloride.
What is the SMILES notation for 12,12-difluorododec-11-enoyl chloride?
The canonical SMILES for 12,12-difluorododec-11-enoyl chloride is O=C(Cl)CCCCCCCCCC=C(F)F.
What is the InChIKey of 12,12-difluorododec-11-enoyl chloride?
The InChIKey is XHAHKEKQTDBTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClF2O/c13-11(16)9-7-5-3-1-2-4-6-8-10-12(14)15/h10H,1-9H2.
What are the key properties of 12,12-difluorododec-11-enoyl chloride?
12,12-difluorododec-11-enoyl chloride has a molecular weight of 252.73 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-difluorododec-11-enoyl chloride is sourced from PubChem (CID 14855873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).