(Z)-2-(2-amino-5-fluorophenyl)but-2-enal

C10H10FNO — CID 143644911

IUPAC(Z)-2-(2-amino-5-fluorophenyl)but-2-enal
SMILESC/C=C(\C=O)c1cc(F)ccc1N
InChIInChI=1S/C10H10FNO/c1-2-7(6-13)9-5-8(11)3-4-10(9)12/h2-6H,12H2,1H3/b7-2+
InChIKeyFEKXDVDNLCAKCB-FARCUNLSSA-N
MW179.19 g/mol
LogP2.01
Rot. Bonds2

About (Z)-2-(2-amino-5-fluorophenyl)but-2-enal

(Z)-2-(2-amino-5-fluorophenyl)but-2-enal (PubChem CID 143644911) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (Z)-2-(2-amino-5-fluorophenyl)but-2-enal.

Molecular Properties

Compound Name(Z)-2-(2-amino-5-fluorophenyl)but-2-enal
PubChem CID143644911
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(Z)-2-(2-amino-5-fluorophenyl)but-2-enal
SMILESC/C=C(\C=O)c1cc(F)ccc1N
InChIInChI=1S/C10H10FNO/c1-2-7(6-13)9-5-8(11)3-4-10(9)12/h2-6H,12H2,1H3/b7-2+
InChIKeyFEKXDVDNLCAKCB-FARCUNLSSA-N
XLogP2.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
2-amino-N-tert-butyl-5-fluorobenzamide
CID 43132548
(2-amino-5-fluorophenyl)-(3,5-difluorophenyl)methanone
CID 82684855
(2-amino-5-fluorophenyl)-(4-bromophenyl)methanone
CID 13408104
2-amino-5-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 106179911
(2-amino-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 113319706
2-amino-5-fluoro-N-(3-formamidopropyl)benzamide
CID 82547187
2-fluoroethyl 2-amino-5-fluorobenzoate
CID 79078827
2-amino-N-cyano-5-fluorobenzamide
CID 79195015
2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
CID 62002165
2-amino-5-fluoro-N-propan-2-yl-N-prop-2-enylbenzamide
CID 54905690

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-amino-5-fluorophenyl)but-2-enal?
The IUPAC name of (Z)-2-(2-amino-5-fluorophenyl)but-2-enal (CID 143644911) is (Z)-2-(2-amino-5-fluorophenyl)but-2-enal.
What is the SMILES notation for (Z)-2-(2-amino-5-fluorophenyl)but-2-enal?
The canonical SMILES for (Z)-2-(2-amino-5-fluorophenyl)but-2-enal is C/C=C(\C=O)c1cc(F)ccc1N.
What is the InChIKey of (Z)-2-(2-amino-5-fluorophenyl)but-2-enal?
The InChIKey is FEKXDVDNLCAKCB-FARCUNLSSA-N. The full InChI is InChI=1S/C10H10FNO/c1-2-7(6-13)9-5-8(11)3-4-10(9)12/h2-6H,12H2,1H3/b7-2+.
What are the key properties of (Z)-2-(2-amino-5-fluorophenyl)but-2-enal?
(Z)-2-(2-amino-5-fluorophenyl)but-2-enal has a molecular weight of 179.19 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-amino-5-fluorophenyl)but-2-enal is sourced from PubChem (CID 143644911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).