4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride

C10H13ClF3NO2 — CID 171222654

IUPAC4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc([C@@H](N)CC(F)(F)F)ccc1O.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-16-9-4-6(2-3-8(9)15)7(14)5-10(11,12)13;/h2-4,7,15H,5,14H2,1H3;1H/t7-;/m0./s1
InChIKeyDEIOHPZKDQWJPR-FJXQXJEOSA-N
MW271.67 g/mol
LogP2.77
Rot. Bonds3

About 4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride

4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride (PubChem CID 171222654) has the molecular formula C10H13ClF3NO2 and a molecular weight of 271.67 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride
PubChem CID171222654
Molecular FormulaC10H13ClF3NO2
Molecular Weight271.67 g/mol
Exact Mass271.06
IUPAC Name4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride
SMILESCOc1cc([C@@H](N)CC(F)(F)F)ccc1O.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-16-9-4-6(2-3-8(9)15)7(14)5-10(11,12)13;/h2-4,7,15H,5,14H2,1H3;1H/t7-;/m0./s1
InChIKeyDEIOHPZKDQWJPR-FJXQXJEOSA-N
XLogP2.77
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminopropyl]-2-methoxyphenol;hydrochloride
CID 171203078
4-[(1R)-1,2-diaminoethyl]-2-methoxyphenol;hydrochloride
CID 171222633
4-[(1R)-1-amino-3,3,3-trifluoropropyl]-2-fluorophenol;hydrochloride
CID 171198755
4-(1-amino-2,2,2-trifluoroethyl)-2-methoxyphenol
CID 77128126
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-bromo-6-methoxyphenol;hydrochloride
CID 171226138
4-(1-amino-3-methylbutyl)-2-methoxyphenol
CID 112710189
4-[(1S)-1-aminoethyl]-2-methoxyphenol;hydrochloride
CID 171222640
(1S)-3,3,3-trifluoro-1-(6-methoxynaphthalen-2-yl)propan-1-amine;hydrochloride
CID 171218913
4-(1-aminobut-3-enyl)-2-methoxyphenol
CID 55295606
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
4-[(1S)-1-amino-2-methylbutyl]-2-methoxyphenol;hydrochloride
CID 171222672

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride?
The IUPAC name of 4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride (CID 171222654) is 4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride is COc1cc([C@@H](N)CC(F)(F)F)ccc1O.Cl.
What is the InChIKey of 4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride?
The InChIKey is DEIOHPZKDQWJPR-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H12F3NO2.ClH/c1-16-9-4-6(2-3-8(9)15)7(14)5-10(11,12)13;/h2-4,7,15H,5,14H2,1H3;1H/t7-;/m0./s1.
What are the key properties of 4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride?
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride has a molecular weight of 271.67 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride is sourced from PubChem (CID 171222654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).