(Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol

C14H19FO2 — CID 12049793

IUPAC(Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol
SMILESC[C@H](/C=C(\F)[C@@H](O)CCc1ccccc1)CO
InChIInChI=1S/C14H19FO2/c1-11(10-16)9-13(15)14(17)8-7-12-5-3-2-4-6-12/h2-6,9,11,14,16-17H,7-8,10H2,1H3/b13-9-/t11-,14+/m1/s1
InChIKeyQLUYVMQBCJJZQM-SYKXKWPBSA-N
MW238.30 g/mol
LogP2.46
Rot. Bonds6

About (Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol

(Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol (PubChem CID 12049793) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is (Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol.

Molecular Properties

Compound Name(Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol
PubChem CID12049793
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Name(Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol
SMILESC[C@H](/C=C(\F)[C@@H](O)CCc1ccccc1)CO
InChIInChI=1S/C14H19FO2/c1-11(10-16)9-13(15)14(17)8-7-12-5-3-2-4-6-12/h2-6,9,11,14,16-17H,7-8,10H2,1H3/b13-9-/t11-,14+/m1/s1
InChIKeyQLUYVMQBCJJZQM-SYKXKWPBSA-N
XLogP2.46
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol?
The IUPAC name of (Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol (CID 12049793) is (Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol.
What is the SMILES notation for (Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol?
The canonical SMILES for (Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol is C[C@H](/C=C(\F)[C@@H](O)CCc1ccccc1)CO.
What is the InChIKey of (Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol?
The InChIKey is QLUYVMQBCJJZQM-SYKXKWPBSA-N. The full InChI is InChI=1S/C14H19FO2/c1-11(10-16)9-13(15)14(17)8-7-12-5-3-2-4-6-12/h2-6,9,11,14,16-17H,7-8,10H2,1H3/b13-9-/t11-,14+/m1/s1.
What are the key properties of (Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol?
(Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol has a molecular weight of 238.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,5S)-4-fluoro-2-methyl-7-phenylhept-3-ene-1,5-diol is sourced from PubChem (CID 12049793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).