(Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid

C6H8F2O3 — CID 163598417

IUPAC(Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid
SMILESO=C(O)C(O)/C(F)=C/CCF
InChIInChI=1S/C6H8F2O3/c7-3-1-2-4(8)5(9)6(10)11/h2,5,9H,1,3H2,(H,10,11)/b4-2-
InChIKeyGVMCPYWDUUNSHZ-RQOWECAXSA-N
MW166.12 g/mol
LogP0.64
Rot. Bonds4

About (Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid

(Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid (PubChem CID 163598417) has the molecular formula C6H8F2O3 and a molecular weight of 166.12 g/mol. Its IUPAC name is (Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid.

Molecular Properties

Compound Name(Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid
PubChem CID163598417
Molecular FormulaC6H8F2O3
Molecular Weight166.12 g/mol
Exact Mass166.04
IUPAC Name(Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid
SMILESO=C(O)C(O)/C(F)=C/CCF
InChIInChI=1S/C6H8F2O3/c7-3-1-2-4(8)5(9)6(10)11/h2,5,9H,1,3H2,(H,10,11)/b4-2-
InChIKeyGVMCPYWDUUNSHZ-RQOWECAXSA-N
XLogP0.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid?
The IUPAC name of (Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid (CID 163598417) is (Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid.
What is the SMILES notation for (Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid?
The canonical SMILES for (Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid is O=C(O)C(O)/C(F)=C/CCF.
What is the InChIKey of (Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid?
The InChIKey is GVMCPYWDUUNSHZ-RQOWECAXSA-N. The full InChI is InChI=1S/C6H8F2O3/c7-3-1-2-4(8)5(9)6(10)11/h2,5,9H,1,3H2,(H,10,11)/b4-2-.
What are the key properties of (Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid?
(Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid has a molecular weight of 166.12 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid is sourced from PubChem (CID 163598417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).