(Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol

C11H13ClF2N2O — CID 145351413

IUPAC(Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol
SMILESCC(F)(F)c1cc(N/C=C(\N)CO)ccc1Cl
InChIInChI=1S/C11H13ClF2N2O/c1-11(13,14)9-4-8(2-3-10(9)12)16-5-7(15)6-17/h2-5,16-17H,6,15H2,1H3/b7-5-
InChIKeyLYZQZUCINFEYEA-ALCCZGGFSA-N
MW262.69 g/mol
LogP2.66
Rot. Bonds4

About (Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol

(Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol (PubChem CID 145351413) has the molecular formula C11H13ClF2N2O and a molecular weight of 262.69 g/mol. Its IUPAC name is (Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol
PubChem CID145351413
Molecular FormulaC11H13ClF2N2O
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Name(Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol
SMILESCC(F)(F)c1cc(N/C=C(\N)CO)ccc1Cl
InChIInChI=1S/C11H13ClF2N2O/c1-11(13,14)9-4-8(2-3-10(9)12)16-5-7(15)6-17/h2-5,16-17H,6,15H2,1H3/b7-5-
InChIKeyLYZQZUCINFEYEA-ALCCZGGFSA-N
XLogP2.66
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol?
The IUPAC name of (Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol (CID 145351413) is (Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol.
What is the SMILES notation for (Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol?
The canonical SMILES for (Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol is CC(F)(F)c1cc(N/C=C(\N)CO)ccc1Cl.
What is the InChIKey of (Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol?
The InChIKey is LYZQZUCINFEYEA-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H13ClF2N2O/c1-11(13,14)9-4-8(2-3-10(9)12)16-5-7(15)6-17/h2-5,16-17H,6,15H2,1H3/b7-5-.
What are the key properties of (Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol?
(Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol has a molecular weight of 262.69 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[4-chloro-3-(1,1-difluoroethyl)anilino]prop-2-en-1-ol is sourced from PubChem (CID 145351413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).