4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol

C10H11ClFNO — CID 170476605

IUPAC4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol
SMILESNc1c(F)cc(Cl)cc1C=CCCO
InChIInChI=1S/C10H11ClFNO/c11-8-5-7(3-1-2-4-14)10(13)9(12)6-8/h1,3,5-6,14H,2,4,13H2
InChIKeyKQQNSKZIBPSZMJ-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.46
Rot. Bonds3

About 4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol

4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol (PubChem CID 170476605) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol
PubChem CID170476605
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol
SMILESNc1c(F)cc(Cl)cc1C=CCCO
InChIInChI=1S/C10H11ClFNO/c11-8-5-7(3-1-2-4-14)10(13)9(12)6-8/h1,3,5-6,14H,2,4,13H2
InChIKeyKQQNSKZIBPSZMJ-UHFFFAOYSA-N
XLogP2.46
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-3,5-difluorophenyl)but-3-en-1-ol
CID 170476606
2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline
CID 169475530
4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol
CID 170476602
tert-butyl N-[(E)-3-(2-amino-5-chloro-3-fluorophenyl)prop-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10621037
3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453366
4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol
CID 170476550
2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol
CID 170497380
2-fluoro-6-(4-hydroxybut-1-enyl)phenol
CID 170476150
(Z)-4-(4-chlorophenyl)but-3-en-1-ol
CID 117268088
2-(4-aminobut-1-enyl)-4-chloroaniline
CID 170486646
3-(2-amino-3,5-difluorophenyl)prop-2-ene-1-thiol
CID 169455202
2-[4-fluoro-3-(4-hydroxybut-1-enyl)phenyl]acetonitrile
CID 170476934

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol?
The IUPAC name of 4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol (CID 170476605) is 4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol.
What is the SMILES notation for 4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol?
The canonical SMILES for 4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol is Nc1c(F)cc(Cl)cc1C=CCCO.
What is the InChIKey of 4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol?
The InChIKey is KQQNSKZIBPSZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-8-5-7(3-1-2-4-14)10(13)9(12)6-8/h1,3,5-6,14H,2,4,13H2.
What are the key properties of 4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol?
4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol has a molecular weight of 215.66 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol is sourced from PubChem (CID 170476605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).