3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole

C20H20FN — CID 18683567

IUPAC3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole
SMILESC/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C
InChIInChI=1S/C20H20FN/c1-4-7-19-20(15-10-12-16(21)13-11-15)17-8-5-6-9-18(17)22(19)14(2)3/h4-14H,1-3H3/b7-4+
InChIKeyOZUDPOGNKJFQHL-QPJJXVBHSA-N
MW293.39 g/mol
LogP6.06
Rot. Bonds3

About 3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole

3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole (PubChem CID 18683567) has the molecular formula C20H20FN and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole
PubChem CID18683567
Molecular FormulaC20H20FN
Molecular Weight293.39 g/mol
Exact Mass293.16
IUPAC Name3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole
SMILESC/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C
InChIInChI=1S/C20H20FN/c1-4-7-19-20(15-10-12-16(21)13-11-15)17-8-5-6-9-18(17)22(19)14(2)3/h4-14H,1-3H3/b7-4+
InChIKeyOZUDPOGNKJFQHL-QPJJXVBHSA-N
XLogP6.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.39
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole?
The IUPAC name of 3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole (CID 18683567) is 3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole.
What is the SMILES notation for 3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole?
The canonical SMILES for 3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole is C/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(C)C.
What is the InChIKey of 3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole?
The InChIKey is OZUDPOGNKJFQHL-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H20FN/c1-4-7-19-20(15-10-12-16(21)13-11-15)17-8-5-6-9-18(17)22(19)14(2)3/h4-14H,1-3H3/b7-4+.
What are the key properties of 3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole?
3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole has a molecular weight of 293.39 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-propan-2-yl-2-[(E)-prop-1-enyl]indole is sourced from PubChem (CID 18683567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).