12,12,12-trifluoro-2-methylidenedodecanoic acid

C13H21F3O2 — CID 150365035

IUPAC12,12,12-trifluoro-2-methylidenedodecanoic acid
SMILESC=C(CCCCCCCCCC(F)(F)F)C(=O)O
InChIInChI=1S/C13H21F3O2/c1-11(12(17)18)9-7-5-3-2-4-6-8-10-13(14,15)16/h1-10H2,(H,17,18)
InChIKeyGWNDDLUOICWJBL-UHFFFAOYSA-N
MW266.30 g/mol
LogP4.70
Rot. Bonds10

About 12,12,12-trifluoro-2-methylidenedodecanoic acid

12,12,12-trifluoro-2-methylidenedodecanoic acid (PubChem CID 150365035) has the molecular formula C13H21F3O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 12,12,12-trifluoro-2-methylidenedodecanoic acid.

Molecular Properties

Compound Name12,12,12-trifluoro-2-methylidenedodecanoic acid
PubChem CID150365035
Molecular FormulaC13H21F3O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name12,12,12-trifluoro-2-methylidenedodecanoic acid
SMILESC=C(CCCCCCCCCC(F)(F)F)C(=O)O
InChIInChI=1S/C13H21F3O2/c1-11(12(17)18)9-7-5-3-2-4-6-8-10-13(14,15)16/h1-10H2,(H,17,18)
InChIKeyGWNDDLUOICWJBL-UHFFFAOYSA-N
XLogP4.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 12,12,12-trifluoro-2-methylidenedodecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,11-dimethylidenedodecanedioic acid
CID 20542368
12,12,12-trifluorododecanoyl chloride
CID 19105159
13-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)-2-methylidenetridecanoic acid
CID 87196607
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
8,8,8-trifluorooctanethioic S-acid
CID 123473867
2-methylidene-7-oxooctanoic acid
CID 87625234
11-bromo-1,1,1-trifluoroundecan-6-one
CID 125481301
6-[methyl-bis(3,3,4,4,4-pentafluorobutyl)silyl]-2-methylidenehexanoic acid
CID 19816645
2-[[dimethyl(3,3,3-trifluoropropyl)silyl]methyl]prop-2-enoic acid
CID 87921366
7-(methylamino)-2-methylideneheptanoic acid
CID 118649610
4,4-dimethyl-2-methylidenepentanoic acid;2-methylideneoctanoic acid
CID 118453604
5-chloro-2-methylidenepentanoic acid
CID 10953677

Frequently Asked Questions

What is the IUPAC name of 12,12,12-trifluoro-2-methylidenedodecanoic acid?
The IUPAC name of 12,12,12-trifluoro-2-methylidenedodecanoic acid (CID 150365035) is 12,12,12-trifluoro-2-methylidenedodecanoic acid.
What is the SMILES notation for 12,12,12-trifluoro-2-methylidenedodecanoic acid?
The canonical SMILES for 12,12,12-trifluoro-2-methylidenedodecanoic acid is C=C(CCCCCCCCCC(F)(F)F)C(=O)O.
What is the InChIKey of 12,12,12-trifluoro-2-methylidenedodecanoic acid?
The InChIKey is GWNDDLUOICWJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O2/c1-11(12(17)18)9-7-5-3-2-4-6-8-10-13(14,15)16/h1-10H2,(H,17,18).
What are the key properties of 12,12,12-trifluoro-2-methylidenedodecanoic acid?
12,12,12-trifluoro-2-methylidenedodecanoic acid has a molecular weight of 266.30 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12,12-trifluoro-2-methylidenedodecanoic acid is sourced from PubChem (CID 150365035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).