10,10-difluorodec-9-enoic acid

C10H16F2O2 — CID 19430083

IUPAC10,10-difluorodec-9-enoic acid
SMILESO=C(O)CCCCCCCC=C(F)F
InChIInChI=1S/C10H16F2O2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h7H,1-6,8H2,(H,13,14)
InChIKeySLRCFOORKALOHS-UHFFFAOYSA-N
MW206.23 g/mol
LogP3.58
Rot. Bonds8

About 10,10-difluorodec-9-enoic acid

10,10-difluorodec-9-enoic acid (PubChem CID 19430083) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 10,10-difluorodec-9-enoic acid.

Molecular Properties

Compound Name10,10-difluorodec-9-enoic acid
PubChem CID19430083
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name10,10-difluorodec-9-enoic acid
SMILESO=C(O)CCCCCCCC=C(F)F
InChIInChI=1S/C10H16F2O2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h7H,1-6,8H2,(H,13,14)
InChIKeySLRCFOORKALOHS-UHFFFAOYSA-N
XLogP3.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 53.58
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

Undecylenic Acid
CID 5634
9-Decenoic acid
CID 61743
11-Dodecenoic acid
CID 125207
8-Nonenoic Acid
CID 35860
14-Pentadecenoic acid
CID 543854
12-Tridecenoic acid
CID 5282737
Phlomic acid
CID 102066359
9,10-Octadecadienoic acid
CID 107568
15-Hexadecenoic acid
CID 11680418
10-Undecenoic acid, zinc salt (2:1)
CID 16212084
10-Fluoroundec-10-enoic acid
CID 10726803
20,20,20-Trifluoro-19-oxoicosa-9,12-dienoic acid
CID 90985413

Frequently Asked Questions

What is the IUPAC name of 10,10-difluorodec-9-enoic acid?
The IUPAC name of 10,10-difluorodec-9-enoic acid (CID 19430083) is 10,10-difluorodec-9-enoic acid.
What is the SMILES notation for 10,10-difluorodec-9-enoic acid?
The canonical SMILES for 10,10-difluorodec-9-enoic acid is O=C(O)CCCCCCCC=C(F)F.
What is the InChIKey of 10,10-difluorodec-9-enoic acid?
The InChIKey is SLRCFOORKALOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h7H,1-6,8H2,(H,13,14).
What are the key properties of 10,10-difluorodec-9-enoic acid?
10,10-difluorodec-9-enoic acid has a molecular weight of 206.23 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-difluorodec-9-enoic acid is sourced from PubChem (CID 19430083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).