(1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol

C17H19FO2 — CID 134854187

IUPAC(1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol
SMILESCC=C(F)C(CCc1ccccc1)[C@@H](O)c1ccco1
InChIInChI=1S/C17H19FO2/c1-2-15(18)14(17(19)16-9-6-12-20-16)11-10-13-7-4-3-5-8-13/h2-9,12,14,17,19H,10-11H2,1H3/t14?,17-/m1/s1
InChIKeyXJDZFJOUJDISOW-FBMWCMRBSA-N
MW274.34 g/mol
LogP4.44
Rot. Bonds6

About (1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol

(1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol (PubChem CID 134854187) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is (1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol
PubChem CID134854187
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name(1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol
SMILESCC=C(F)C(CCc1ccccc1)[C@@H](O)c1ccco1
InChIInChI=1S/C17H19FO2/c1-2-15(18)14(17(19)16-9-6-12-20-16)11-10-13-7-4-3-5-8-13/h2-9,12,14,17,19H,10-11H2,1H3/t14?,17-/m1/s1
InChIKeyXJDZFJOUJDISOW-FBMWCMRBSA-N
XLogP4.44
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol?
The IUPAC name of (1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol (CID 134854187) is (1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol.
What is the SMILES notation for (1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol?
The canonical SMILES for (1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol is CC=C(F)C(CCc1ccccc1)[C@@H](O)c1ccco1.
What is the InChIKey of (1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol?
The InChIKey is XJDZFJOUJDISOW-FBMWCMRBSA-N. The full InChI is InChI=1S/C17H19FO2/c1-2-15(18)14(17(19)16-9-6-12-20-16)11-10-13-7-4-3-5-8-13/h2-9,12,14,17,19H,10-11H2,1H3/t14?,17-/m1/s1.
What are the key properties of (1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol?
(1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol has a molecular weight of 274.34 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol is sourced from PubChem (CID 134854187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).