(2S)-2-amino-4-(trifluoromethoxy)butan-1-ol

C5H10F3NO2 — CID 169260958

IUPAC(2S)-2-amino-4-(trifluoromethoxy)butan-1-ol
SMILESN[C@H](CO)CCOC(F)(F)F
InChIInChI=1S/C5H10F3NO2/c6-5(7,8)11-2-1-4(9)3-10/h4,10H,1-3,9H2/t4-/m0/s1
InChIKeyOCKLHCGSOQZACX-BYPYZUCNSA-N
MW173.13 g/mol
LogP0.23
Rot. Bonds4

About (2S)-2-amino-4-(trifluoromethoxy)butan-1-ol

(2S)-2-amino-4-(trifluoromethoxy)butan-1-ol (PubChem CID 169260958) has the molecular formula C5H10F3NO2 and a molecular weight of 173.13 g/mol. Its IUPAC name is (2S)-2-amino-4-(trifluoromethoxy)butan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-4-(trifluoromethoxy)butan-1-ol
PubChem CID169260958
Molecular FormulaC5H10F3NO2
Molecular Weight173.13 g/mol
Exact Mass173.07
IUPAC Name(2S)-2-amino-4-(trifluoromethoxy)butan-1-ol
SMILESN[C@H](CO)CCOC(F)(F)F
InChIInChI=1S/C5H10F3NO2/c6-5(7,8)11-2-1-4(9)3-10/h4,10H,1-3,9H2/t4-/m0/s1
InChIKeyOCKLHCGSOQZACX-BYPYZUCNSA-N
XLogP0.23
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-methoxybutan-1-ol
CID 20065961
3-Amino-4,4,4-trifluorobutan-1-ol
CID 45358255
2-Amino-4,4,4-trifluorobutan-1-ol hydrochloride
CID 53416432
3-Amino-4-methoxybutan-1-ol
CID 53632436
3-Amino-4,4,4-trifluorobutan-1-ol hydrochloride
CID 73018179
(2S)-2-amino-4,4,4-trifluorobutan-1-ol
CID 86669707
3-Amino-4,4-difluorobutan-1-ol
CID 105427236
2-Amino-1,4-butanediol
CID 14325613
2-Amino-3-(difluoromethoxy)propan-1-ol hydrochloride
CID 167742075
(S)-3-Amino-4-methoxybutan-1-ol
CID 53260000
(3R)-3-Amino-4,4,4-trifluorobutan-1-ol hydrochloride
CID 11579221
(R)-3-Amino-4,4,4-trifluorobutan-1-ol
CID 11579222

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(trifluoromethoxy)butan-1-ol?
The IUPAC name of (2S)-2-amino-4-(trifluoromethoxy)butan-1-ol (CID 169260958) is (2S)-2-amino-4-(trifluoromethoxy)butan-1-ol.
What is the SMILES notation for (2S)-2-amino-4-(trifluoromethoxy)butan-1-ol?
The canonical SMILES for (2S)-2-amino-4-(trifluoromethoxy)butan-1-ol is N[C@H](CO)CCOC(F)(F)F.
What is the InChIKey of (2S)-2-amino-4-(trifluoromethoxy)butan-1-ol?
The InChIKey is OCKLHCGSOQZACX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10F3NO2/c6-5(7,8)11-2-1-4(9)3-10/h4,10H,1-3,9H2/t4-/m0/s1.
What are the key properties of (2S)-2-amino-4-(trifluoromethoxy)butan-1-ol?
(2S)-2-amino-4-(trifluoromethoxy)butan-1-ol has a molecular weight of 173.13 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(trifluoromethoxy)butan-1-ol is sourced from PubChem (CID 169260958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).