(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride

C10H13ClF3NO — CID 171237918

IUPAC(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
SMILESCl.N[C@H](C[C@@H](O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO.ClH/c11-10(12,13)9(14)6-8(15)7-4-2-1-3-5-7;/h1-5,8-9,15H,6,14H2;1H/t8-,9-;/m1./s1
InChIKeyUXNKXRLTDIDBJD-VTLYIQCISA-N
MW255.67 g/mol
LogP2.42
Rot. Bonds3

About (1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride

(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride (PubChem CID 171237918) has the molecular formula C10H13ClF3NO and a molecular weight of 255.67 g/mol. Its IUPAC name is (1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
PubChem CID171237918
Molecular FormulaC10H13ClF3NO
Molecular Weight255.67 g/mol
Exact Mass255.06
IUPAC Name(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
SMILESCl.N[C@H](C[C@@H](O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO.ClH/c11-10(12,13)9(14)6-8(15)7-4-2-1-3-5-7;/h1-5,8-9,15H,6,14H2;1H/t8-,9-;/m1./s1
InChIKeyUXNKXRLTDIDBJD-VTLYIQCISA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.67
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1S,3S)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]phenol;hydrochloride
CID 171237249
(1S,3S)-3-amino-4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butan-1-ol;hydrochloride
CID 171237279
(1R,3S)-3-amino-1-(4-chlorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171236995
2-[(1S,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]phenol;hydrochloride
CID 171237589
(1S,3R)-3-amino-1-(4-tert-butylphenyl)-4,4,4-trifluorobutan-1-ol
CID 171237596
(1S,3S)-3-amino-4,4,4-trifluoro-1-(3-methylphenyl)butan-1-ol
CID 171237190
(1R,3R)-3-amino-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237874
(1R,3S)-3-amino-1-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171236897
(1S,3S)-3-amino-1-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237203
(1R,3S)-3-amino-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-ol
CID 171236930
(1S,3S)-3-amino-1-(2,6-difluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237213
(1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171237893

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride?
The IUPAC name of (1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride (CID 171237918) is (1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride.
What is the SMILES notation for (1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride?
The canonical SMILES for (1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride is Cl.N[C@H](C[C@@H](O)c1ccccc1)C(F)(F)F.
What is the InChIKey of (1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride?
The InChIKey is UXNKXRLTDIDBJD-VTLYIQCISA-N. The full InChI is InChI=1S/C10H12F3NO.ClH/c11-10(12,13)9(14)6-8(15)7-4-2-1-3-5-7;/h1-5,8-9,15H,6,14H2;1H/t8-,9-;/m1./s1.
What are the key properties of (1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride?
(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride has a molecular weight of 255.67 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride is sourced from PubChem (CID 171237918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).