(3R)-3-(difluoromethyl)undecanoic acid

C12H22F2O2 — CID 11276405

IUPAC(3R)-3-(difluoromethyl)undecanoic acid
SMILESCCCCCCCCC(CC(=O)O)C(F)F
InChIInChI=1S/C12H22F2O2/c1-2-3-4-5-6-7-8-10(12(13)14)9-11(15)16/h10,12H,2-9H2,1H3,(H,15,16)
InChIKeyYAAQFNHMKUASJD-UHFFFAOYSA-N
MW236.30 g/mol
LogP4.09
Rot. Bonds10

About (3R)-3-(difluoromethyl)undecanoic acid

(3R)-3-(difluoromethyl)undecanoic acid (PubChem CID 11276405) has the molecular formula C12H22F2O2 and a molecular weight of 236.30 g/mol. Its IUPAC name is (3R)-3-(difluoromethyl)undecanoic acid.

Molecular Properties

Compound Name(3R)-3-(difluoromethyl)undecanoic acid
PubChem CID11276405
Molecular FormulaC12H22F2O2
Molecular Weight236.30 g/mol
Exact Mass236.16
IUPAC Name(3R)-3-(difluoromethyl)undecanoic acid
SMILESCCCCCCCCC(CC(=O)O)C(F)F
InChIInChI=1S/C12H22F2O2/c1-2-3-4-5-6-7-8-10(12(13)14)9-11(15)16/h10,12H,2-9H2,1H3,(H,15,16)
InChIKeyYAAQFNHMKUASJD-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 54.09
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

Phytanic Acid
CID 26840
Pristanic acid
CID 123929
16-Methylheptadecanoic Acid
CID 21859
2-Hexyldecanoic acid
CID 32912
Anteisopentadecanoic Acid
CID 21672
14-Methylpentadecanoic acid
CID 36247
(R)-(-)-2-propyloctanoic acid
CID 208925
2-Methylheptanoic acid
CID 14475
4-Ethyloctanoic acid
CID 61840
13-Methyltetradecanoic Acid
CID 151014
Isooctanoic acid
CID 90716
4-Methylnonanoic acid
CID 62003

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(difluoromethyl)undecanoic acid?
The IUPAC name of (3R)-3-(difluoromethyl)undecanoic acid (CID 11276405) is (3R)-3-(difluoromethyl)undecanoic acid.
What is the SMILES notation for (3R)-3-(difluoromethyl)undecanoic acid?
The canonical SMILES for (3R)-3-(difluoromethyl)undecanoic acid is CCCCCCCCC(CC(=O)O)C(F)F.
What is the InChIKey of (3R)-3-(difluoromethyl)undecanoic acid?
The InChIKey is YAAQFNHMKUASJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O2/c1-2-3-4-5-6-7-8-10(12(13)14)9-11(15)16/h10,12H,2-9H2,1H3,(H,15,16).
What are the key properties of (3R)-3-(difluoromethyl)undecanoic acid?
(3R)-3-(difluoromethyl)undecanoic acid has a molecular weight of 236.30 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(difluoromethyl)undecanoic acid is sourced from PubChem (CID 11276405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).