4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride

C8H9ClF3NO — CID 138107889

IUPAC4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
SMILESCl.NC(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C8H8F3NO.ClH/c9-8(10,11)7(12)5-1-3-6(13)4-2-5;/h1-4,7,13H,12H2;1H
InChIKeyJDMQNFSWVGXQKQ-UHFFFAOYSA-N
MW227.61 g/mol
LogP2.38
Rot. Bonds1

About 4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride

4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride (PubChem CID 138107889) has the molecular formula C8H9ClF3NO and a molecular weight of 227.61 g/mol. Its IUPAC name is 4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
PubChem CID138107889
Molecular FormulaC8H9ClF3NO
Molecular Weight227.61 g/mol
Exact Mass227.03
IUPAC Name4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
SMILESCl.NC(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C8H8F3NO.ClH/c9-8(10,11)7(12)5-1-3-6(13)4-2-5;/h1-4,7,13H,12H2;1H
InChIKeyJDMQNFSWVGXQKQ-UHFFFAOYSA-N
XLogP2.38
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-amino-2,2-difluoropropyl)phenol
CID 84660941
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
CID 131102833
3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 171238998
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]methanol
CID 66510878
4-[(1S,3S)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]phenol;hydrochloride
CID 171237249
[4-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl] acetate;hydrochloride
CID 171242944
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-methylphenol
CID 66510873
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 66510341
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 130612128
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride?
The IUPAC name of 4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride (CID 138107889) is 4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride.
What is the SMILES notation for 4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride?
The canonical SMILES for 4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride is Cl.NC(c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride?
The InChIKey is JDMQNFSWVGXQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.ClH/c9-8(10,11)7(12)5-1-3-6(13)4-2-5;/h1-4,7,13H,12H2;1H.
What are the key properties of 4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride?
4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride has a molecular weight of 227.61 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride is sourced from PubChem (CID 138107889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).