(E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol

C20H18FO3P — CID 101097527

IUPAC(E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol
SMILESO=P(c1ccccc1)(c1ccccc1)C(F)C(O)/C=C/c1ccco1
InChIInChI=1S/C20H18FO3P/c21-20(19(22)14-13-16-8-7-15-24-16)25(23,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,19-20,22H/b14-13+
InChIKeyMTSBXPNFWFQPBI-BUHFOSPRSA-N
MW356.33 g/mol
LogP3.96
Rot. Bonds6

About (E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol

(E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol (PubChem CID 101097527) has the molecular formula C20H18FO3P and a molecular weight of 356.33 g/mol. Its IUPAC name is (E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol
PubChem CID101097527
Molecular FormulaC20H18FO3P
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name(E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol
SMILESO=P(c1ccccc1)(c1ccccc1)C(F)C(O)/C=C/c1ccco1
InChIInChI=1S/C20H18FO3P/c21-20(19(22)14-13-16-8-7-15-24-16)25(23,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,19-20,22H/b14-13+
InChIKeyMTSBXPNFWFQPBI-BUHFOSPRSA-N
XLogP3.96
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-(furan-2-yl)but-3-en-2-ol
CID 131876668
(E)-3-amino-5-(furan-2-yl)pent-4-enoic acid
CID 55255644
(E,2S)-2-ethyl-4-(furan-2-yl)but-3-enoic acid
CID 138963796
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
(1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol
CID 101097518
(1S,2R)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol
CID 10595603
2-[(E)-2-phenylethenyl]furan
CID 642118
(1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol
CID 101097525
(2E,4S,6S,7E)-5-diphenylphosphorylnona-2,7-diene-4,6-diol
CID 11725813
2-[(E)-2-bromoethenyl]furan
CID 10899150
2-[(E)-2-fluoroethenyl]furan
CID 145208016
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073

Frequently Asked Questions

What is the IUPAC name of (E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol?
The IUPAC name of (E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol (CID 101097527) is (E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol?
The canonical SMILES for (E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol is O=P(c1ccccc1)(c1ccccc1)C(F)C(O)/C=C/c1ccco1.
What is the InChIKey of (E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol?
The InChIKey is MTSBXPNFWFQPBI-BUHFOSPRSA-N. The full InChI is InChI=1S/C20H18FO3P/c21-20(19(22)14-13-16-8-7-15-24-16)25(23,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,19-20,22H/b14-13+.
What are the key properties of (E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol?
(E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol has a molecular weight of 356.33 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diphenylphosphoryl-1-fluoro-4-(furan-2-yl)but-3-en-2-ol is sourced from PubChem (CID 101097527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).