(1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol

C14H14F3NO — CID 171237294

IUPAC(1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol
SMILESN[C@@H](C[C@H](O)c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C14H14F3NO/c15-14(16,17)13(18)8-12(19)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13,19H,8,18H2/t12-,13-/m0/s1
InChIKeyMPRVNDYBEPDCAU-STQMWFEESA-N
MW269.27 g/mol
LogP3.15
Rot. Bonds3

About (1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol

(1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol (PubChem CID 171237294) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is (1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol.

Molecular Properties

Compound Name(1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol
PubChem CID171237294
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name(1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol
SMILESN[C@@H](C[C@H](O)c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C14H14F3NO/c15-14(16,17)13(18)8-12(19)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13,19H,8,18H2/t12-,13-/m0/s1
InChIKeyMPRVNDYBEPDCAU-STQMWFEESA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]phenol;hydrochloride
CID 171237589
(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237818
(1R,3R)-3-amino-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171237893
(1S,3S)-3-amino-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237305
(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
CID 171237918
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
(1S,3S)-3-amino-1-(2,6-difluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237213
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1S)-2-chloro-1-naphthalen-1-ylethanol
CID 68839318
(1S)-1-naphthalen-1-ylpropane-1,3-diol
CID 154706330
(1S,3S)-3-amino-4,4,4-trifluoro-1-(2,4,5-trifluorophenyl)butan-1-ol
CID 171237196

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol?
The IUPAC name of (1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol (CID 171237294) is (1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol.
What is the SMILES notation for (1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol?
The canonical SMILES for (1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol is N[C@@H](C[C@H](O)c1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of (1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol?
The InChIKey is MPRVNDYBEPDCAU-STQMWFEESA-N. The full InChI is InChI=1S/C14H14F3NO/c15-14(16,17)13(18)8-12(19)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13,19H,8,18H2/t12-,13-/m0/s1.
What are the key properties of (1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol?
(1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol has a molecular weight of 269.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol is sourced from PubChem (CID 171237294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).