5,6,6-trifluorohex-5-enoic acid

C6H7F3O2 — CID 10654653

IUPAC5,6,6-trifluorohex-5-enoic acid
SMILESO=C(O)CCCC(F)=C(F)F
InChIInChI=1S/C6H7F3O2/c7-4(6(8)9)2-1-3-5(10)11/h1-3H2,(H,10,11)
InChIKeyZSZRUNIGLYJCEN-UHFFFAOYSA-N
MW168.11 g/mol
LogP2.32
Rot. Bonds4

About 5,6,6-trifluorohex-5-enoic acid

5,6,6-trifluorohex-5-enoic acid (PubChem CID 10654653) has the molecular formula C6H7F3O2 and a molecular weight of 168.11 g/mol. Its IUPAC name is 5,6,6-trifluorohex-5-enoic acid.

Molecular Properties

Compound Name5,6,6-trifluorohex-5-enoic acid
PubChem CID10654653
Molecular FormulaC6H7F3O2
Molecular Weight168.11 g/mol
Exact Mass168.04
IUPAC Name5,6,6-trifluorohex-5-enoic acid
SMILESO=C(O)CCCC(F)=C(F)F
InChIInChI=1S/C6H7F3O2/c7-4(6(8)9)2-1-3-5(10)11/h1-3H2,(H,10,11)
InChIKeyZSZRUNIGLYJCEN-UHFFFAOYSA-N
XLogP2.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,5-trifluoropentanoic Acid
CID 2782446
4,5,5-trifluoropent-4-enoic Acid
CID 2782447
3-(Difluoromethylidene)cyclobutane-1-carboxylic acid
CID 155973822
5,5-Difluoro-4-pentenoic acid
CID 13551221
2,2,3,3,4,4,5,6,6-Nonafluorohex-5-enoic acid
CID 420411
2,2-Difluoro-5-hexenoic acid
CID 11535590
Sodium 2,2,3,3,4,4,5,6,6-nonafluorohex-5-enoic acid
CID 54606499
(Z)-2,2,3,3,4,4,5,6-octafluorohex-5-enoic acid
CID 12626928
6,6-difluorohex-5-enoic Acid
CID 11298056
3,3-Difluorohex-5-enoic acid
CID 17803248
3,3,4,5,5-Pentafluoropent-4-enoic acid
CID 19862302
5-Bromo-6,6-difluorohex-5-enoic acid
CID 57142624

Frequently Asked Questions

What is the IUPAC name of 5,6,6-trifluorohex-5-enoic acid?
The IUPAC name of 5,6,6-trifluorohex-5-enoic acid (CID 10654653) is 5,6,6-trifluorohex-5-enoic acid.
What is the SMILES notation for 5,6,6-trifluorohex-5-enoic acid?
The canonical SMILES for 5,6,6-trifluorohex-5-enoic acid is O=C(O)CCCC(F)=C(F)F.
What is the InChIKey of 5,6,6-trifluorohex-5-enoic acid?
The InChIKey is ZSZRUNIGLYJCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O2/c7-4(6(8)9)2-1-3-5(10)11/h1-3H2,(H,10,11).
What are the key properties of 5,6,6-trifluorohex-5-enoic acid?
5,6,6-trifluorohex-5-enoic acid has a molecular weight of 168.11 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6-trifluorohex-5-enoic acid is sourced from PubChem (CID 10654653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).