3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine

C12H13F2N — CID 65174290

IUPAC3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine
SMILESNC1C=C(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C12H13F2N/c13-10-3-2-9(12(14)7-10)5-8-1-4-11(15)6-8/h2-3,6-7,11H,1,4-5,15H2
InChIKeyDJQMGQCGCMYIKE-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.55
Rot. Bonds2

About 3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine

3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine (PubChem CID 65174290) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine
PubChem CID65174290
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Name3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine
SMILESNC1C=C(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C12H13F2N/c13-10-3-2-9(12(14)7-10)5-8-1-4-11(15)6-8/h2-3,6-7,11H,1,4-5,15H2
InChIKeyDJQMGQCGCMYIKE-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-[(3-chlorocyclopenten-1-yl)methyl]-4-fluorobenzene
CID 65176426
3-(2,4-difluorophenyl)cyclopent-2-en-1-amine
CID 65174225
3-[(2,5-difluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
CID 65176808
4-[(2-bromo-4-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 83261455
3-[(2,5-difluorophenyl)methyl]cyclohept-2-en-1-ol
CID 107383366
3-[(2,4-difluorophenyl)methyl]cyclohept-2-en-1-one
CID 107382899
4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
3-[(4-iodophenyl)methyl]cyclopent-2-en-1-amine
CID 65489768
3-(1-benzothiophen-3-ylmethyl)cyclopent-2-en-1-amine
CID 65174642
4-[(2-bromo-5-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 83261454
1-[2-[(2,4-difluorophenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 81016867

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine (CID 65174290) is 3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine is NC1C=C(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine?
The InChIKey is DJQMGQCGCMYIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N/c13-10-3-2-9(12(14)7-10)5-8-1-4-11(15)6-8/h2-3,6-7,11H,1,4-5,15H2.
What are the key properties of 3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine?
3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine has a molecular weight of 209.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluorophenyl)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 65174290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).