3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine

C17H16FN — CID 82298493

IUPAC3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine
SMILESNC1C=C(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C17H16FN/c18-16-8-5-13(6-9-16)12-1-3-14(4-2-12)15-7-10-17(19)11-15/h1-6,8-9,11,17H,7,10,19H2
InChIKeyALVMIOGNINVEMR-UHFFFAOYSA-N
MW253.32 g/mol
LogP4.00
Rot. Bonds2

About 3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine

3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine (PubChem CID 82298493) has the molecular formula C17H16FN and a molecular weight of 253.32 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine
PubChem CID82298493
Molecular FormulaC17H16FN
Molecular Weight253.32 g/mol
Exact Mass253.13
IUPAC Name3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine
SMILESNC1C=C(c2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C17H16FN/c18-16-8-5-13(6-9-16)12-1-3-14(4-2-12)15-7-10-17(19)11-15/h1-6,8-9,11,17H,7,10,19H2
InChIKeyALVMIOGNINVEMR-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine?
The IUPAC name of 3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine (CID 82298493) is 3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine?
The canonical SMILES for 3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine is NC1C=C(c2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine?
The InChIKey is ALVMIOGNINVEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN/c18-16-8-5-13(6-9-16)12-1-3-14(4-2-12)15-7-10-17(19)11-15/h1-6,8-9,11,17H,7,10,19H2.
What are the key properties of 3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine?
3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine has a molecular weight of 253.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)phenyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 82298493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).