(E)-6-fluoro-4-methylhex-5-enoic acid

C7H11FO2 — CID 121320724

IUPAC(E)-6-fluoro-4-methylhex-5-enoic acid
SMILESCC(/C=C/F)CCC(=O)O
InChIInChI=1S/C7H11FO2/c1-6(4-5-8)2-3-7(9)10/h4-6H,2-3H2,1H3,(H,9,10)/b5-4+
InChIKeyHZYGCGMCUFVWTC-SNAWJCMRSA-N
MW146.16 g/mol
LogP1.97
Rot. Bonds4

About (E)-6-fluoro-4-methylhex-5-enoic acid

(E)-6-fluoro-4-methylhex-5-enoic acid (PubChem CID 121320724) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (E)-6-fluoro-4-methylhex-5-enoic acid.

Molecular Properties

Compound Name(E)-6-fluoro-4-methylhex-5-enoic acid
PubChem CID121320724
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(E)-6-fluoro-4-methylhex-5-enoic acid
SMILESCC(/C=C/F)CCC(=O)O
InChIInChI=1S/C7H11FO2/c1-6(4-5-8)2-3-7(9)10/h4-6H,2-3H2,1H3,(H,9,10)/b5-4+
InChIKeyHZYGCGMCUFVWTC-SNAWJCMRSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5Z,7E)-4,8-difluoroocta-5,7-dienoic acid
CID 89001469
4-fluoro-5-methylhexanoic acid
CID 83855194
magnesium;hydride;4-methylpentanoic acid
CID 174689724
(E)-4,5-dimethyloct-6-enoic acid
CID 155168801
4-(2,2-difluoroethylamino)pentanoic acid
CID 115405874
4-formyl-5-methylhexanoic acid
CID 141229887
6-(5-carboxy-3-methylpentoxy)-4-methylhexanoic acid
CID 87319600
4-amino-5-fluorohexanoic acid
CID 78098113
4-aminopentanoic acid;ethane
CID 143436801
(4S)-4-hydroxyhexanoic acid
CID 14057564
4-prop-2-enoyloxypentanoic acid
CID 87568780
6-methyltrideca-2,4-dienedioic acid
CID 175056311

Frequently Asked Questions

What is the IUPAC name of (E)-6-fluoro-4-methylhex-5-enoic acid?
The IUPAC name of (E)-6-fluoro-4-methylhex-5-enoic acid (CID 121320724) is (E)-6-fluoro-4-methylhex-5-enoic acid.
What is the SMILES notation for (E)-6-fluoro-4-methylhex-5-enoic acid?
The canonical SMILES for (E)-6-fluoro-4-methylhex-5-enoic acid is CC(/C=C/F)CCC(=O)O.
What is the InChIKey of (E)-6-fluoro-4-methylhex-5-enoic acid?
The InChIKey is HZYGCGMCUFVWTC-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11FO2/c1-6(4-5-8)2-3-7(9)10/h4-6H,2-3H2,1H3,(H,9,10)/b5-4+.
What are the key properties of (E)-6-fluoro-4-methylhex-5-enoic acid?
(E)-6-fluoro-4-methylhex-5-enoic acid has a molecular weight of 146.16 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-fluoro-4-methylhex-5-enoic acid is sourced from PubChem (CID 121320724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).