2,3,6-trifluorohexanoic acid;hydrochloride

C6H10ClF3O2 — CID 88826417

IUPAC2,3,6-trifluorohexanoic acid;hydrochloride
SMILESCl.O=C(O)C(F)C(F)CCCF
InChIInChI=1S/C6H9F3O2.ClH/c7-3-1-2-4(8)5(9)6(10)11;/h4-5H,1-3H2,(H,10,11);1H
InChIKeyJMYUNLNWHCFWDR-UHFFFAOYSA-N
MW206.59 g/mol
LogP1.92
Rot. Bonds5

About 2,3,6-trifluorohexanoic acid;hydrochloride

2,3,6-trifluorohexanoic acid;hydrochloride (PubChem CID 88826417) has the molecular formula C6H10ClF3O2 and a molecular weight of 206.59 g/mol. Its IUPAC name is 2,3,6-trifluorohexanoic acid;hydrochloride.

Molecular Properties

Compound Name2,3,6-trifluorohexanoic acid;hydrochloride
PubChem CID88826417
Molecular FormulaC6H10ClF3O2
Molecular Weight206.59 g/mol
Exact Mass206.03
IUPAC Name2,3,6-trifluorohexanoic acid;hydrochloride
SMILESCl.O=C(O)C(F)C(F)CCCF
InChIInChI=1S/C6H9F3O2.ClH/c7-3-1-2-4(8)5(9)6(10)11;/h4-5H,1-3H2,(H,10,11);1H
InChIKeyJMYUNLNWHCFWDR-UHFFFAOYSA-N
XLogP1.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.59
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,5,6,9-hexafluorononane-1-sulfonic acid
CID 134206325
2,3,6-trifluorohexane-1,1,1-triol
CID 166745250
3-(bromomethyl)-6-fluorohexanoic acid
CID 174538715
sodium 2,3,6-trifluorohexane-1-sulfonate
CID 134207601
1,2,8-trifluorooctane-1-sulfonic acid
CID 87485264
2,3,4,5,6,7,10-heptafluorodecane-1,1-diol
CID 166745165
2,3,11-trifluoroundecane-1-sulfonic acid
CID 134206558
(2S,4R)-2-amino-4-(3-fluoropropyl)pentanedioic acid
CID 88947507
ethyl 2,3,5-trifluoropentanoate
CID 174529809
2,3,4,5,10-pentafluorodecane-1-sulfonic acid
CID 134206413
4-amino-2-fluoro-3-methylbutanoic acid
CID 138987586
1,2,5-trifluoropentane
CID 87247739

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluorohexanoic acid;hydrochloride?
The IUPAC name of 2,3,6-trifluorohexanoic acid;hydrochloride (CID 88826417) is 2,3,6-trifluorohexanoic acid;hydrochloride.
What is the SMILES notation for 2,3,6-trifluorohexanoic acid;hydrochloride?
The canonical SMILES for 2,3,6-trifluorohexanoic acid;hydrochloride is Cl.O=C(O)C(F)C(F)CCCF.
What is the InChIKey of 2,3,6-trifluorohexanoic acid;hydrochloride?
The InChIKey is JMYUNLNWHCFWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O2.ClH/c7-3-1-2-4(8)5(9)6(10)11;/h4-5H,1-3H2,(H,10,11);1H.
What are the key properties of 2,3,6-trifluorohexanoic acid;hydrochloride?
2,3,6-trifluorohexanoic acid;hydrochloride has a molecular weight of 206.59 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluorohexanoic acid;hydrochloride is sourced from PubChem (CID 88826417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).