(Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol

C11H13ClF3N3O — CID 146437910

IUPAC(Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol
SMILESN/C(=C\N(N)c1ccc(Cl)c(C(F)(F)F)c1)CCO
InChIInChI=1S/C11H13ClF3N3O/c12-10-2-1-8(5-9(10)11(13,14)15)18(17)6-7(16)3-4-19/h1-2,5-6,19H,3-4,16-17H2/b7-6-
InChIKeyZJCGELXJRDCXIT-SREVYHEPSA-N
MW295.69 g/mol
LogP2.22
Rot. Bonds4

About (Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol

(Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol (PubChem CID 146437910) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is (Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol.

Molecular Properties

Compound Name(Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol
PubChem CID146437910
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name(Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol
SMILESN/C(=C\N(N)c1ccc(Cl)c(C(F)(F)F)c1)CCO
InChIInChI=1S/C11H13ClF3N3O/c12-10-2-1-8(5-9(10)11(13,14)15)18(17)6-7(16)3-4-19/h1-2,5-6,19H,3-4,16-17H2/b7-6-
InChIKeyZJCGELXJRDCXIT-SREVYHEPSA-N
XLogP2.22
TPSA75.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[N-amino-4-chloro-3-(trifluoromethyl)anilino]ethenamine
CID 146437813
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
2-[4-amino-N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
CID 61244638
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-hydroxyethylcarbamoyl)propanamide
CID 143527563
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171207674
1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,3-difluorophenyl)urea
CID 90751133
[5-[1-[4-chloro-N-ethyl-3-(trifluoromethyl)anilino]ethyl]-2-ethenylphenyl]methanol
CID 118349183
4-chloro-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 111117899
4-[bis(2-hydroxyethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 61234313
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 66825529
(3R)-3-amino-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171242218
1-[4-chloro-3-(trifluoromethyl)phenyl]-1-(N-methyl-3-pyrimidin-5-ylanilino)urea
CID 67162073

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol?
The IUPAC name of (Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol (CID 146437910) is (Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol.
What is the SMILES notation for (Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol?
The canonical SMILES for (Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol is N/C(=C\N(N)c1ccc(Cl)c(C(F)(F)F)c1)CCO.
What is the InChIKey of (Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol?
The InChIKey is ZJCGELXJRDCXIT-SREVYHEPSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c12-10-2-1-8(5-9(10)11(13,14)15)18(17)6-7(16)3-4-19/h1-2,5-6,19H,3-4,16-17H2/b7-6-.
What are the key properties of (Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol?
(Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol has a molecular weight of 295.69 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4-[N-amino-4-chloro-3-(trifluoromethyl)anilino]but-3-en-1-ol is sourced from PubChem (CID 146437910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).