(3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane

C14H15FO — CID 167892956

IUPAC(3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane
SMILESFc1ccc(C2CC2)c(/C=C2\CCOC2)c1
InChIInChI=1S/C14H15FO/c15-13-3-4-14(11-1-2-11)12(8-13)7-10-5-6-16-9-10/h3-4,7-8,11H,1-2,5-6,9H2/b10-7+
InChIKeyXVVYNRJUBRJDIC-JXMROGBWSA-N
MW218.27 g/mol
LogP3.51
Rot. Bonds2

About (3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane

(3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane (PubChem CID 167892956) has the molecular formula C14H15FO and a molecular weight of 218.27 g/mol. Its IUPAC name is (3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane.

Molecular Properties

Compound Name(3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane
PubChem CID167892956
Molecular FormulaC14H15FO
Molecular Weight218.27 g/mol
Exact Mass218.11
IUPAC Name(3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane
SMILESFc1ccc(C2CC2)c(/C=C2\CCOC2)c1
InChIInChI=1S/C14H15FO/c15-13-3-4-14(11-1-2-11)12(8-13)7-10-5-6-16-9-10/h3-4,7-8,11H,1-2,5-6,9H2/b10-7+
InChIKeyXVVYNRJUBRJDIC-JXMROGBWSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane?
The IUPAC name of (3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane (CID 167892956) is (3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane.
What is the SMILES notation for (3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane?
The canonical SMILES for (3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane is Fc1ccc(C2CC2)c(/C=C2\CCOC2)c1.
What is the InChIKey of (3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane?
The InChIKey is XVVYNRJUBRJDIC-JXMROGBWSA-N. The full InChI is InChI=1S/C14H15FO/c15-13-3-4-14(11-1-2-11)12(8-13)7-10-5-6-16-9-10/h3-4,7-8,11H,1-2,5-6,9H2/b10-7+.
What are the key properties of (3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane?
(3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane has a molecular weight of 218.27 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2-cyclopropyl-5-fluorophenyl)methylidene]oxolane is sourced from PubChem (CID 167892956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).