[3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol

C19H20F3NO — CID 174640342

IUPAC[3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol
SMILESOCc1cccc(C=Cc2ccc(NCCCC(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)11-2-12-23-18-9-7-15(8-10-18)5-6-16-3-1-4-17(13-16)14-24/h1,3-10,13,23-24H,2,11-12,14H2
InChIKeyXBNQGASZMBTAHO-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.10
Rot. Bonds7

About [3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol

[3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol (PubChem CID 174640342) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is [3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol
PubChem CID174640342
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name[3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol
SMILESOCc1cccc(C=Cc2ccc(NCCCC(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO/c20-19(21,22)11-2-12-23-18-9-7-15(8-10-18)5-6-16-3-1-4-17(13-16)14-24/h1,3-10,13,23-24H,2,11-12,14H2
InChIKeyXBNQGASZMBTAHO-UHFFFAOYSA-N
XLogP5.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[2-[4-(4,4,4-trifluorobutoxy)phenyl]ethenyl]phenyl]methanol
CID 174640456
7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 23439974
[3-[(E)-2-(4-amino-3-methylphenyl)ethenyl]phenyl]methanol
CID 171107503
4-phenyl-N-(4,4,4-trifluorobutyl)aniline
CID 115513665
(3-prop-1-enylphenyl)methanol
CID 73411411
3-[3-(hydroxymethyl)phenyl]prop-2-en-1-ol
CID 150777752
3-(methoxymethyl)-N-(4,4,4-trifluorobutyl)aniline
CID 113326329
3-bromo-N-(4,4,4-trifluorobutyl)aniline
CID 115513477
methyl 3-[3-(hydroxymethyl)phenyl]prop-2-enoate
CID 68585193
(E)-3-[3-(4,4,4-trifluorobutoxymethyl)phenyl]prop-2-enoic acid
CID 82787822
4-[3-(hydroxymethyl)anilino]butane-1-sulfonic acid
CID 175277279
tert-butyl N-[4-[3-(hydroxymethyl)phenyl]but-3-enyl]carbamate
CID 170490056

Frequently Asked Questions

What is the IUPAC name of [3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol?
The IUPAC name of [3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol (CID 174640342) is [3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol.
What is the SMILES notation for [3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol?
The canonical SMILES for [3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol is OCc1cccc(C=Cc2ccc(NCCCC(F)(F)F)cc2)c1.
What is the InChIKey of [3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol?
The InChIKey is XBNQGASZMBTAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c20-19(21,22)11-2-12-23-18-9-7-15(8-10-18)5-6-16-3-1-4-17(13-16)14-24/h1,3-10,13,23-24H,2,11-12,14H2.
What are the key properties of [3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol?
[3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol has a molecular weight of 335.37 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[4-(4,4,4-trifluorobutylamino)phenyl]ethenyl]phenyl]methanol is sourced from PubChem (CID 174640342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).