(2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine

C11H16FNO — CID 145165236

IUPAC(2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/F)C(=C)OCC1CC1
InChIInChI=1S/C11H16FNO/c1-3-10(6-13)11(12)8(2)14-7-9-4-5-9/h3,9H,1-2,4-7,13H2/b11-10-
InChIKeyWTWNKMIPIQTVDN-KHPPLWFESA-N
MW197.25 g/mol
LogP2.30
Rot. Bonds6

About (2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine

(2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine (PubChem CID 145165236) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is (2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine
PubChem CID145165236
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name(2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine
SMILESC=C/C(CN)=C(/F)C(=C)OCC1CC1
InChIInChI=1S/C11H16FNO/c1-3-10(6-13)11(12)8(2)14-7-9-4-5-9/h3,9H,1-2,4-7,13H2/b11-10-
InChIKeyWTWNKMIPIQTVDN-KHPPLWFESA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(2Z)-2-ethenyl-3-ethoxy-4-fluoropenta-2,4-dien-1-amine
CID 143673829

Frequently Asked Questions

What is the IUPAC name of (2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine?
The IUPAC name of (2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine (CID 145165236) is (2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine.
What is the SMILES notation for (2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine?
The canonical SMILES for (2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine is C=C/C(CN)=C(/F)C(=C)OCC1CC1.
What is the InChIKey of (2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine?
The InChIKey is WTWNKMIPIQTVDN-KHPPLWFESA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-10(6-13)11(12)8(2)14-7-9-4-5-9/h3,9H,1-2,4-7,13H2/b11-10-.
What are the key properties of (2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine?
(2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine has a molecular weight of 197.25 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-(cyclopropylmethoxy)-2-ethenyl-3-fluoropenta-2,4-dien-1-amine is sourced from PubChem (CID 145165236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).