4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride

C12H17ClF3NO2 — CID 171200839

IUPAC4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@H](N)CCC(F)(F)F)ccc1O.Cl
InChIInChI=1S/C12H16F3NO2.ClH/c1-2-18-11-7-8(3-4-10(11)17)9(16)5-6-12(13,14)15;/h3-4,7,9,17H,2,5-6,16H2,1H3;1H/t9-;/m1./s1
InChIKeyBDPIAAXVVNICMJ-SBSPUUFOSA-N
MW299.72 g/mol
LogP3.56
Rot. Bonds5

About 4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride

4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride (PubChem CID 171200839) has the molecular formula C12H17ClF3NO2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride
PubChem CID171200839
Molecular FormulaC12H17ClF3NO2
Molecular Weight299.72 g/mol
Exact Mass299.09
IUPAC Name4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@H](N)CCC(F)(F)F)ccc1O.Cl
InChIInChI=1S/C12H16F3NO2.ClH/c1-2-18-11-7-8(3-4-10(11)17)9(16)5-6-12(13,14)15;/h3-4,7,9,17H,2,5-6,16H2,1H3;1H/t9-;/m1./s1
InChIKeyBDPIAAXVVNICMJ-SBSPUUFOSA-N
XLogP3.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
4-[(1R)-1-aminohexyl]-2-ethoxyphenol
CID 171200830
4-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-2-ethoxyphenol;hydrochloride
CID 171312194
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-2-ethoxyphenol;hydrochloride
CID 171246598
4-[(1S)-1-amino-3-methylbut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171220395
4-[(1R)-1-aminobut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171200827
2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171168746
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2-methoxyphenol;hydrochloride
CID 171222654
(1S)-1-(2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171221760
4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
(1R)-4,4,4-trifluoro-1-(3-methoxy-4-methylphenyl)butan-1-amine
CID 171205463
4-[(1R)-1-aminopentyl]-2-methoxyphenol;hydrochloride
CID 171203083

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride?
The IUPAC name of 4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride (CID 171200839) is 4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride is CCOc1cc([C@H](N)CCC(F)(F)F)ccc1O.Cl.
What is the InChIKey of 4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride?
The InChIKey is BDPIAAXVVNICMJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C12H16F3NO2.ClH/c1-2-18-11-7-8(3-4-10(11)17)9(16)5-6-12(13,14)15;/h3-4,7,9,17H,2,5-6,16H2,1H3;1H/t9-;/m1./s1.
What are the key properties of 4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride?
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride has a molecular weight of 299.72 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride is sourced from PubChem (CID 171200839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).