2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine

C10H16FN — CID 139541205

IUPAC2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine
SMILESCCC1=C(N)C=C(C(C)(C)F)C1
InChIInChI=1S/C10H16FN/c1-4-7-5-8(6-9(7)12)10(2,3)11/h6H,4-5,12H2,1-3H3
InChIKeyBOAPSUYDKGYOPE-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.69
Rot. Bonds2

About 2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine

2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine (PubChem CID 139541205) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound Name2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine
PubChem CID139541205
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine
SMILESCCC1=C(N)C=C(C(C)(C)F)C1
InChIInChI=1S/C10H16FN/c1-4-7-5-8(6-9(7)12)10(2,3)11/h6H,4-5,12H2,1-3H3
InChIKeyBOAPSUYDKGYOPE-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine?
The IUPAC name of 2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine (CID 139541205) is 2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine.
What is the SMILES notation for 2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine?
The canonical SMILES for 2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine is CCC1=C(N)C=C(C(C)(C)F)C1.
What is the InChIKey of 2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine?
The InChIKey is BOAPSUYDKGYOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-7-5-8(6-9(7)12)10(2,3)11/h6H,4-5,12H2,1-3H3.
What are the key properties of 2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine?
2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-fluoropropan-2-yl)cyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 139541205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).