(E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal

C7H11FO2 — CID 88935992

IUPAC(E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal
SMILESCC(O)[C@H](C)/C=C(/F)C=O
InChIInChI=1S/C7H11FO2/c1-5(6(2)10)3-7(8)4-9/h3-6,10H,1-2H3/b7-3+/t5-,6?/m1/s1
InChIKeyVCLFCKMXLKNTRH-OAGIRWKLSA-N
MW146.16 g/mol
LogP1.06
Rot. Bonds3

About (E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal

(E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal (PubChem CID 88935992) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal.

Molecular Properties

Compound Name(E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal
PubChem CID88935992
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal
SMILESCC(O)[C@H](C)/C=C(/F)C=O
InChIInChI=1S/C7H11FO2/c1-5(6(2)10)3-7(8)4-9/h3-6,10H,1-2H3/b7-3+/t5-,6?/m1/s1
InChIKeyVCLFCKMXLKNTRH-OAGIRWKLSA-N
XLogP1.06
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal?
The IUPAC name of (E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal (CID 88935992) is (E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal.
What is the SMILES notation for (E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal?
The canonical SMILES for (E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal is CC(O)[C@H](C)/C=C(/F)C=O.
What is the InChIKey of (E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal?
The InChIKey is VCLFCKMXLKNTRH-OAGIRWKLSA-N. The full InChI is InChI=1S/C7H11FO2/c1-5(6(2)10)3-7(8)4-9/h3-6,10H,1-2H3/b7-3+/t5-,6?/m1/s1.
What are the key properties of (E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal?
(E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal has a molecular weight of 146.16 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-2-fluoro-5-hydroxy-4-methylhex-2-enal is sourced from PubChem (CID 88935992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).