2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol

C7H11F6NO2 — CID 102723499

IUPAC2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol
SMILESNC(CO)CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO2/c8-6(9,10)5(7(11,12)13)16-2-1-4(14)3-15/h4-5,15H,1-3,14H2
InChIKeyROEBHDWCKKWAEF-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.21
Rot. Bonds5

About 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol

2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol (PubChem CID 102723499) has the molecular formula C7H11F6NO2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol
PubChem CID102723499
Molecular FormulaC7H11F6NO2
Molecular Weight255.16 g/mol
Exact Mass255.07
IUPAC Name2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol
SMILESNC(CO)CCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO2/c8-6(9,10)5(7(11,12)13)16-2-1-4(14)3-15/h4-5,15H,1-3,14H2
InChIKeyROEBHDWCKKWAEF-UHFFFAOYSA-N
XLogP1.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4,4,4-trifluorobutane-1,3-diol
CID 19422989
(2S)-2-amino-4,4,4-trifluorobutane-1,3-diol
CID 140762693
(3-Amino-4,4,4-trifluorobutyl)-(2,2,2-trifluoroethyl)oxidanium
CID 163841235
(2S)-2-amino-4-(trifluoromethoxy)butan-1-ol;hydrochloride
CID 169260957
(2S)-2-amino-4-(trifluoromethoxy)butan-1-ol
CID 169260958
2-Amino-4-(trifluoromethoxy)butan-1-ol;hydrochloride
CID 170319079
(2S,3R)-2-amino-4,4,4-trifluorobutane-1,3-diol
CID 21585350
(2S,3S)-2-amino-4,4,4-trifluorobutane-1,3-diol
CID 21585351
2-Amino-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 64574358
3-Amino-2-(2,2,2-trifluoroethoxy)butan-1-ol
CID 64899822
3-Amino-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 64900081
2-Amino-4-(trifluoromethoxy)butan-1-ol
CID 65804387

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol?
The IUPAC name of 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol (CID 102723499) is 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol.
What is the SMILES notation for 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol?
The canonical SMILES for 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol is NC(CO)CCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol?
The InChIKey is ROEBHDWCKKWAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO2/c8-6(9,10)5(7(11,12)13)16-2-1-4(14)3-15/h4-5,15H,1-3,14H2.
What are the key properties of 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol?
2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol has a molecular weight of 255.16 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-1-ol is sourced from PubChem (CID 102723499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).