12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride

C15H20ClF9O — CID 14375284

IUPAC12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride
SMILESO=C(Cl)CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H20ClF9O/c16-11(26)9-7-5-3-1-2-4-6-8-10-12(17,18)13(19,20)14(21,22)15(23,24)25/h1-10H2
InChIKeyHDQATQLPXACQSR-UHFFFAOYSA-N
MW422.76 g/mol
LogP7.12
Rot. Bonds13

About 12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride

12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride (PubChem CID 14375284) has the molecular formula C15H20ClF9O and a molecular weight of 422.76 g/mol. Its IUPAC name is 12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride.

Molecular Properties

Compound Name12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride
PubChem CID14375284
Molecular FormulaC15H20ClF9O
Molecular Weight422.76 g/mol
Exact Mass422.11
IUPAC Name12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride
SMILESO=C(Cl)CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H20ClF9O/c16-11(26)9-7-5-3-1-2-4-6-8-10-12(17,18)13(19,20)14(21,22)15(23,24)25/h1-10H2
InChIKeyHDQATQLPXACQSR-UHFFFAOYSA-N
XLogP7.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.76
LogP ≤ 57.12
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

24,24,25,25,26,26,27,27,27-nonafluoroheptacosanoic acid
CID 71357304
9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid
CID 101432379
12,12,12-trifluorododecanoyl chloride
CID 19105159
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tetratriacontafluorodocosane
CID 99769054
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid
CID 18469837
12,12,13,13,14,14,15,15,15-nonafluoropentadecylphosphonic acid
CID 22630498
CID 136814653
CID 136814653
8,8-dimethylnonanoyl chloride
CID 154269642
12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-heptadecafluorononadecylphosphonic acid
CID 22630520
2-(12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyloxy)butanedioic acid
CID 175689499
2,3,3,4,4,5,5-heptafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)undecanoic acid
CID 88617652

Frequently Asked Questions

What is the IUPAC name of 12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride?
The IUPAC name of 12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride (CID 14375284) is 12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride.
What is the SMILES notation for 12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride?
The canonical SMILES for 12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride is O=C(Cl)CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride?
The InChIKey is HDQATQLPXACQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF9O/c16-11(26)9-7-5-3-1-2-4-6-8-10-12(17,18)13(19,20)14(21,22)15(23,24)25/h1-10H2.
What are the key properties of 12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride?
12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride has a molecular weight of 422.76 g/mol, XLogP of 7.12, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride is sourced from PubChem (CID 14375284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).