4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol

C11H12F3NO — CID 170477172

IUPAC4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESNc1ccc(C(F)(F)F)cc1C=CCCO
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-4-5-10(15)8(7-9)3-1-2-6-16/h1,3-5,7,16H,2,6,15H2
InChIKeySRCMFISXIWIANV-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.68
Rot. Bonds3

About 4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol

4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol (PubChem CID 170477172) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol
PubChem CID170477172
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESNc1ccc(C(F)(F)F)cc1C=CCCO
InChIInChI=1S/C11H12F3NO/c12-11(13,14)9-4-5-10(15)8(7-9)3-1-2-6-16/h1,3-5,7,16H,2,6,15H2
InChIKeySRCMFISXIWIANV-UHFFFAOYSA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.68
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

2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline
CID 169464113
3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-ene-1-thiol
CID 169455779
2-[4-(methylamino)but-1-enyl]-4-(trifluoromethyl)aniline
CID 170496362
4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477046
2-(4-hydroxybut-1-enyl)-4-(trifluoromethyl)benzoic acid
CID 170477459
N-[3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-enyl]acetamide
CID 169466076
4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol
CID 170476602
4-[2-nitro-4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477477
4-[2-fluoro-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170487409
(Z)-4-[3,5-bis(trifluoromethyl)phenyl]but-3-en-1-ol
CID 118168632
methyl (E)-3-[2-amino-5-(trifluoromethyl)phenyl]prop-2-enoate
CID 15453700
4-tert-butyl-2-(4-hydroxybut-1-enyl)phenol
CID 170477115

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol?
The IUPAC name of 4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol (CID 170477172) is 4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol.
What is the SMILES notation for 4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol?
The canonical SMILES for 4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol is Nc1ccc(C(F)(F)F)cc1C=CCCO.
What is the InChIKey of 4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol?
The InChIKey is SRCMFISXIWIANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)9-4-5-10(15)8(7-9)3-1-2-6-16/h1,3-5,7,16H,2,6,15H2.
What are the key properties of 4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol?
4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol has a molecular weight of 231.22 g/mol, XLogP of 2.68, 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-(trifluoromethyl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 170477172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).