(2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol

C4H6F5NO — CID 129368619

IUPAC(2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol
SMILESNC[C@H](O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5NO/c5-3(6,2(11)1-10)4(7,8)9/h2,11H,1,10H2/t2-/m0/s1
InChIKeyFSQUFJQIPQSOBE-REOHCLBHSA-N
MW179.09 g/mol
LogP0.50
Rot. Bonds2

About (2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol

(2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol (PubChem CID 129368619) has the molecular formula C4H6F5NO and a molecular weight of 179.09 g/mol. Its IUPAC name is (2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol
PubChem CID129368619
Molecular FormulaC4H6F5NO
Molecular Weight179.09 g/mol
Exact Mass179.04
IUPAC Name(2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol
SMILESNC[C@H](O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H6F5NO/c5-3(6,2(11)1-10)4(7,8)9/h2,11H,1,10H2/t2-/m0/s1
InChIKeyFSQUFJQIPQSOBE-REOHCLBHSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.09
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-amino-1,1,1-trifluoropropan-2-ol
CID 2779001
4,4,5,5,5-pentafluoro-3-hydroxypentanoic acid
CID 118209497
(2S)-4-amino-1,1,1-trifluorobutan-2-ol
CID 51886728
1-amino-4-methyl-3-propan-2-ylpentane-2,3-diol
CID 19706253
1,1,1,2,2,7,7,8,8,8-decafluoro-5-iodooct-5-en-3-ol
CID 172713124
(2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol
CID 98055023
1-[1-(1-amino-3,3,4,4,4-pentafluorobutan-2-yl)pyrrolidin-3-yl]ethanol
CID 165439242
1-amino-3,3,4-trimethylpentan-2-ol
CID 83694403
(2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid
CID 44512711
1-amino-3-methoxy-3-methylbutan-2-ol
CID 55285086
1-amino-3-methyl-3-(methylamino)butan-2-ol
CID 139754066
1-amino-4,4,4-trifluoro-3-methylbutan-2-ol
CID 83905243

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol?
The IUPAC name of (2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol (CID 129368619) is (2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol.
What is the SMILES notation for (2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol?
The canonical SMILES for (2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol is NC[C@H](O)C(F)(F)C(F)(F)F.
What is the InChIKey of (2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol?
The InChIKey is FSQUFJQIPQSOBE-REOHCLBHSA-N. The full InChI is InChI=1S/C4H6F5NO/c5-3(6,2(11)1-10)4(7,8)9/h2,11H,1,10H2/t2-/m0/s1.
What are the key properties of (2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol?
(2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol has a molecular weight of 179.09 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol is sourced from PubChem (CID 129368619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).