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

C7H11F6NO2 — CID 102723518

IUPAC1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol
SMILESNCC(O)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(15)3-14/h4-5,15H,1-3,14H2
InChIKeyFDZJRIMAFGQIHG-UHFFFAOYSA-N
MW255.16 g/mol
LogP1.21
Rot. Bonds5

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

1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol (PubChem CID 102723518) has the molecular formula C7H11F6NO2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol.

Molecular Properties

Compound Name1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol
PubChem CID102723518
Molecular FormulaC7H11F6NO2
Molecular Weight255.16 g/mol
Exact Mass255.07
IUPAC Name1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol
SMILESNCC(O)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(15)3-14/h4-5,15H,1-3,14H2
InChIKeyFDZJRIMAFGQIHG-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

5-Amino-1,1,1,2,3,3-hexafluoropentane-2,4-diol
CID 175036929
3-(4-Amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol
CID 43753380
1-Amino-4-(2,2,2-trifluoroethoxy)butan-2-ol
CID 64812945
1-Amino-4-(1,1,1-trifluoropropan-2-yloxy)butan-2-ol
CID 66278821
1-Amino-4-(2,2-difluoroethoxy)butan-2-ol
CID 82009332
1-Amino-4-(4,4,4-trifluorobutoxy)butan-2-ol
CID 82794954
1-Amino-4-(3,3,3-trifluoropropoxy)butan-2-ol
CID 82957377
2-Amino-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol
CID 102723463
1-Amino-4-ethoxybutan-2-ol
CID 64813575

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol?
The IUPAC name of 1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol (CID 102723518) is 1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol.
What is the SMILES notation for 1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol?
The canonical SMILES for 1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol is NCC(O)CCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol?
The InChIKey is FDZJRIMAFGQIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO2/c8-6(9,10)5(7(11,12)13)16-2-1-4(15)3-14/h4-5,15H,1-3,14H2.
What are the key properties of 1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol?
1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-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 1-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-ol is sourced from PubChem (CID 102723518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).