(1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine

C10H16FNO — CID 163861334

IUPAC(1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine
SMILESC=C(F)/C=C(\CC)[C@H](N)C1COC1
InChIInChI=1S/C10H16FNO/c1-3-8(4-7(2)11)10(12)9-5-13-6-9/h4,9-10H,2-3,5-6,12H2,1H3/b8-4+/t10-/m0/s1
InChIKeyPCUKHFKSYGUBMH-GOJXHPMJSA-N
MW185.24 g/mol
LogP1.78
Rot. Bonds4

About (1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine

(1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine (PubChem CID 163861334) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is (1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine
PubChem CID163861334
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name(1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine
SMILESC=C(F)/C=C(\CC)[C@H](N)C1COC1
InChIInChI=1S/C10H16FNO/c1-3-8(4-7(2)11)10(12)9-5-13-6-9/h4,9-10H,2-3,5-6,12H2,1H3/b8-4+/t10-/m0/s1
InChIKeyPCUKHFKSYGUBMH-GOJXHPMJSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine?
The IUPAC name of (1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine (CID 163861334) is (1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine.
What is the SMILES notation for (1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine?
The canonical SMILES for (1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine is C=C(F)/C=C(\CC)[C@H](N)C1COC1.
What is the InChIKey of (1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine?
The InChIKey is PCUKHFKSYGUBMH-GOJXHPMJSA-N. The full InChI is InChI=1S/C10H16FNO/c1-3-8(4-7(2)11)10(12)9-5-13-6-9/h4,9-10H,2-3,5-6,12H2,1H3/b8-4+/t10-/m0/s1.
What are the key properties of (1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine?
(1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine has a molecular weight of 185.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E)-2-ethyl-4-fluoro-1-(oxetan-3-yl)penta-2,4-dien-1-amine is sourced from PubChem (CID 163861334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).