4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol

C10H10F3NO — CID 115029863

IUPAC4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol
SMILESNC/C=C(\c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(5-6-14)7-1-3-8(15)4-2-7/h1-5,15H,6,14H2/b9-5+
InChIKeyKJIXKHPLPQWSQQ-WEVVVXLNSA-N
MW217.19 g/mol
LogP2.30
Rot. Bonds2

About 4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol

4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol (PubChem CID 115029863) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol.

Molecular Properties

Compound Name4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol
PubChem CID115029863
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol
SMILESNC/C=C(\c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(5-6-14)7-1-3-8(15)4-2-7/h1-5,15H,6,14H2/b9-5+
InChIKeyKJIXKHPLPQWSQQ-WEVVVXLNSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115029399
(E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine
CID 115041180
(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine
CID 115038096
4-[(Z)-1-amino-4-methylpent-2-en-3-yl]phenol
CID 115018674
(E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine
CID 115028997
(Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine
CID 115034283
[(E)-1,1,1-trifluoro-4-phenylbut-2-en-2-yl]benzene
CID 175788852
4-(3,3,3-trifluoroprop-1-en-2-yl)phenol
CID 58177606
3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine
CID 76997280
(Z)-1-(4-hydroxyphenyl)-3-phenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 102229426
1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene
CID 122222389
4-hept-3-en-4-ylphenol
CID 154096280

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol?
The IUPAC name of 4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol (CID 115029863) is 4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol.
What is the SMILES notation for 4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol?
The canonical SMILES for 4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol is NC/C=C(\c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol?
The InChIKey is KJIXKHPLPQWSQQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9(5-6-14)7-1-3-8(15)4-2-7/h1-5,15H,6,14H2/b9-5+.
What are the key properties of 4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol?
4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol has a molecular weight of 217.19 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol is sourced from PubChem (CID 115029863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).