(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride

C11H14ClF4NO — CID 171209513

IUPAC(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4NO.ClH/c12-9-6-7(10(16)2-1-5-17)3-4-8(9)11(13,14)15;/h3-4,6,10,17H,1-2,5,16H2;1H/t10-;/m1./s1
InChIKeyZPNLRROYWJULKD-HNCPQSOCSA-N
MW287.68 g/mol
LogP3.04
Rot. Bonds4

About (4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride

(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride (PubChem CID 171209513) has the molecular formula C11H14ClF4NO and a molecular weight of 287.68 g/mol. Its IUPAC name is (4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
PubChem CID171209513
Molecular FormulaC11H14ClF4NO
Molecular Weight287.68 g/mol
Exact Mass287.07
IUPAC Name(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4NO.ClH/c12-9-6-7(10(16)2-1-5-17)3-4-8(9)11(13,14)15;/h3-4,6,10,17H,1-2,5,16H2;1H/t10-;/m1./s1
InChIKeyZPNLRROYWJULKD-HNCPQSOCSA-N
XLogP3.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.68
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171229067
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
5-amino-5-(3,4-difluorophenyl)pentan-1-ol
CID 82367220
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methoxypentan-1-amine
CID 107291749
(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171209483
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171222149
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
CID 118021265
(3S)-3-amino-3-(3,4-difluorophenyl)propan-1-ol;hydrochloride
CID 171229659
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride (CID 171209513) is (4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride is Cl.N[C@H](CCCO)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of (4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride?
The InChIKey is ZPNLRROYWJULKD-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13F4NO.ClH/c12-9-6-7(10(16)2-1-5-17)3-4-8(9)11(13,14)15;/h3-4,6,10,17H,1-2,5,16H2;1H/t10-;/m1./s1.
What are the key properties of (4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride?
(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride has a molecular weight of 287.68 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride is sourced from PubChem (CID 171209513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).