4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol

C11H14FNO — CID 170476550

IUPAC4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol
SMILESCc1cc(N)c(F)cc1C=CCCO
InChIInChI=1S/C11H14FNO/c1-8-6-11(13)10(12)7-9(8)4-2-3-5-14/h2,4,6-7,14H,3,5,13H2,1H3
InChIKeyNLBBVZOLKKECLD-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.11
Rot. Bonds3

About 4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol

4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol (PubChem CID 170476550) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol.

Molecular Properties

Compound Name4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol
PubChem CID170476550
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol
SMILESCc1cc(N)c(F)cc1C=CCCO
InChIInChI=1S/C11H14FNO/c1-8-6-11(13)10(12)7-9(8)4-2-3-5-14/h2,4,6-7,14H,3,5,13H2,1H3
InChIKeyNLBBVZOLKKECLD-UHFFFAOYSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.11
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

3-(4-amino-5-fluoro-2-methylphenyl)prop-2-ene-1-thiol
CID 169455146
4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol
CID 170476602
S-[3-(4-amino-5-fluoro-2-methylphenyl)prop-2-enyl] ethanethioate
CID 169457199
4-(6-amino-4-methyl-3-pyridinyl)but-3-en-1-ol
CID 170476221
4-(2-amino-3,5-difluorophenyl)but-3-en-1-ol
CID 170476606
3-(4-hydroxybut-1-enyl)-4-methylphenol
CID 170476164
4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol
CID 170476605
4-(2-amino-3-methylphenyl)but-3-en-1-ol
CID 170476272
4-(5-amino-2,4-difluorophenyl)but-3-ene-1-thiol
CID 170478364
N-[4-(4-amino-2,5-dimethylphenyl)but-3-enyl]acetamide
CID 170488702
1-[4-fluoro-2-(4-hydroxybut-1-enyl)phenyl]ethanone
CID 170476850
4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477172

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol?
The IUPAC name of 4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol (CID 170476550) is 4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol.
What is the SMILES notation for 4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol?
The canonical SMILES for 4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol is Cc1cc(N)c(F)cc1C=CCCO.
What is the InChIKey of 4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol?
The InChIKey is NLBBVZOLKKECLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8-6-11(13)10(12)7-9(8)4-2-3-5-14/h2,4,6-7,14H,3,5,13H2,1H3.
What are the key properties of 4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol?
4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol has a molecular weight of 195.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-fluoro-2-methylphenyl)but-3-en-1-ol is sourced from PubChem (CID 170476550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).