(2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine

C5H8F5NO — CID 97302135

IUPAC(2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine
SMILESC[C@H](N)COC(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO/c1-3(11)2-12-5(9,10)4(6,7)8/h3H,2,11H2,1H3/t3-/m0/s1
InChIKeyYJKODVJQMYPFTQ-VKHMYHEASA-N
MW193.12 g/mol
LogP1.51
Rot. Bonds3

About (2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine

(2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine (PubChem CID 97302135) has the molecular formula C5H8F5NO and a molecular weight of 193.12 g/mol. Its IUPAC name is (2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine
PubChem CID97302135
Molecular FormulaC5H8F5NO
Molecular Weight193.12 g/mol
Exact Mass193.05
IUPAC Name(2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine
SMILESC[C@H](N)COC(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO/c1-3(11)2-12-5(9,10)4(6,7)8/h3H,2,11H2,1H3/t3-/m0/s1
InChIKeyYJKODVJQMYPFTQ-VKHMYHEASA-N
XLogP1.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminopropoxy)-3-methylbutan-1-amine
CID 139317825
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-(2-methylpropoxy)hexane
CID 19797730
1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine
CID 166955876
(2R)-3-methyl-1-(trifluoromethoxy)butan-2-amine
CID 146160519
1,1,1,2,2-pentafluoro-2-(fluoromethoxy)ethane
CID 11805140
(2S)-1-(difluoromethoxy)propan-2-amine
CID 89421032
3-methyl-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139327187
1,1,1,2,2-pentafluoro-2-(2,2,2-trifluoroethoxy)ethane
CID 2775955
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491
6,6,6-trifluorohexane-2,4-diamine
CID 118321950
1-[2-(2-aminopropoxy)ethenoxy]propan-2-amine
CID 150917215
5,5,5-trifluoro-4-methylpentan-2-amine
CID 55254968

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine?
The IUPAC name of (2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine (CID 97302135) is (2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine.
What is the SMILES notation for (2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine?
The canonical SMILES for (2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine is C[C@H](N)COC(F)(F)C(F)(F)F.
What is the InChIKey of (2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine?
The InChIKey is YJKODVJQMYPFTQ-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8F5NO/c1-3(11)2-12-5(9,10)4(6,7)8/h3H,2,11H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine?
(2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine has a molecular weight of 193.12 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,1,2,2,2-pentafluoroethoxy)propan-2-amine is sourced from PubChem (CID 97302135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).