(E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile

C11H10FNO — CID 162416603

IUPAC(E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile
SMILESN#CC[C@@H](O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C11H10FNO/c12-10-4-1-9(2-5-10)3-6-11(14)7-8-13/h1-6,11,14H,7H2/b6-3+/t11-/m0/s1
InChIKeyXJWRADKHPXCQGL-GQOHGMTASA-N
MW191.20 g/mol
LogP2.11
Rot. Bonds3

About (E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile

(E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile (PubChem CID 162416603) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is (E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile.

Molecular Properties

Compound Name(E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile
PubChem CID162416603
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name(E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile
SMILESN#CC[C@@H](O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C11H10FNO/c12-10-4-1-9(2-5-10)3-6-11(14)7-8-13/h1-6,11,14H,7H2/b6-3+/t11-/m0/s1
InChIKeyXJWRADKHPXCQGL-GQOHGMTASA-N
XLogP2.11
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile?
The IUPAC name of (E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile (CID 162416603) is (E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile.
What is the SMILES notation for (E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile?
The canonical SMILES for (E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile is N#CC[C@@H](O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile?
The InChIKey is XJWRADKHPXCQGL-GQOHGMTASA-N. The full InChI is InChI=1S/C11H10FNO/c12-10-4-1-9(2-5-10)3-6-11(14)7-8-13/h1-6,11,14H,7H2/b6-3+/t11-/m0/s1.
What are the key properties of (E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile?
(E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile has a molecular weight of 191.20 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-5-(4-fluorophenyl)-3-hydroxypent-4-enenitrile is sourced from PubChem (CID 162416603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).