2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol

C8H16F3NO — CID 115705335

IUPAC2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
SMILESCCC(CO)NC(C)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-7(5-13)12-6(2)4-8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyMYHCYOKSKNRSIO-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.69
Rot. Bonds5

About 2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol

2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol (PubChem CID 115705335) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
PubChem CID115705335
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
SMILESCCC(CO)NC(C)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-7(5-13)12-6(2)4-8(9,10)11/h6-7,12-13H,3-5H2,1-2H3
InChIKeyMYHCYOKSKNRSIO-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-(4,4,4-trifluorobutan-2-yl)heptan-3-amine
CID 104860331
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
CID 29014802
(2R)-2-(4-methylpentan-2-ylamino)butan-1-ol
CID 103922364
(2S)-2-[[(2R)-4-methylpentan-2-yl]amino]butan-1-ol
CID 28723565
2-[(3,3,3-trifluoro-1-phenylpropyl)amino]butan-1-ol
CID 43771162
4-[[(2R)-1-hydroxybutan-2-yl]amino]pentan-1-ol
CID 103949543
4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine
CID 115892026
2-methylsulfanyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol
CID 115722551
(2R)-2-[[(2R)-heptan-2-yl]amino]butan-1-ol
CID 28724696
2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
CID 115705322
(2R)-2-[[(3R)-2-methylpentan-3-yl]amino]butan-1-ol
CID 93285453

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol?
The IUPAC name of 2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol (CID 115705335) is 2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol.
What is the SMILES notation for 2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol?
The canonical SMILES for 2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol is CCC(CO)NC(C)CC(F)(F)F.
What is the InChIKey of 2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol?
The InChIKey is MYHCYOKSKNRSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-7(5-13)12-6(2)4-8(9,10)11/h6-7,12-13H,3-5H2,1-2H3.
What are the key properties of 2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol?
2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutan-2-ylamino)butan-1-ol is sourced from PubChem (CID 115705335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).