4-(trifluoromethyl)decanoic acid

C11H19F3O2 — CID 88597361

IUPAC4-(trifluoromethyl)decanoic acid
SMILESCCCCCCC(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-2-3-4-5-6-9(11(12,13)14)7-8-10(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyIAQDXAGIPVNQHF-UHFFFAOYSA-N
MW240.26 g/mol
LogP4.00
Rot. Bonds8

About 4-(trifluoromethyl)decanoic acid

4-(trifluoromethyl)decanoic acid (PubChem CID 88597361) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(trifluoromethyl)decanoic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)decanoic acid
PubChem CID88597361
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name4-(trifluoromethyl)decanoic acid
SMILESCCCCCCC(CCC(=O)O)C(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-2-3-4-5-6-9(11(12,13)14)7-8-10(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyIAQDXAGIPVNQHF-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 54.00
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

4-tert-butylundecanoic acid
CID 175010843
4-[tri(propan-2-yloxy)methyl]dodecanoic acid
CID 151455459
4-decyl-11-pentylnonadecanoic acid
CID 57279723
10-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)octadecanoic acid
CID 15142415
docosanoic acid;2-methylpentadecane
CID 161174634
16-methylheptadecanoic acid;tetradecane
CID 162095206
7-methyloctanoic acid;nonanoic acid
CID 159973040
4-aminoicosanoic acid
CID 57269724
4-aminooctadecanoic acid
CID 154390224
4-methylpentanoic acid;octanoic acid
CID 88696485
4-hydroxyhexadecanoic acid
CID 5282904
16-methylheptadecanoic acid;bis(octadecanoic acid)
CID 160563934

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)decanoic acid?
The IUPAC name of 4-(trifluoromethyl)decanoic acid (CID 88597361) is 4-(trifluoromethyl)decanoic acid.
What is the SMILES notation for 4-(trifluoromethyl)decanoic acid?
The canonical SMILES for 4-(trifluoromethyl)decanoic acid is CCCCCCC(CCC(=O)O)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)decanoic acid?
The InChIKey is IAQDXAGIPVNQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-2-3-4-5-6-9(11(12,13)14)7-8-10(15)16/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 4-(trifluoromethyl)decanoic acid?
4-(trifluoromethyl)decanoic acid has a molecular weight of 240.26 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)decanoic acid is sourced from PubChem (CID 88597361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).