2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol

C9H18F3NO2 — CID 66275325

IUPAC2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
SMILESCCNC(CO)CCOC(C)C(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-3-13-8(6-14)4-5-15-7(2)9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyNXZXBHLTQJHXKH-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.31
Rot. Bonds7

About 2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol

2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol (PubChem CID 66275325) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
PubChem CID66275325
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
SMILESCCNC(CO)CCOC(C)C(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-3-13-8(6-14)4-5-15-7(2)9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyNXZXBHLTQJHXKH-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[3-(Tert-butylamino)-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropan-2-yl]amino]butan-2-ol
CID 134533548
3-[2,2-Difluoro-3-(propan-2-ylamino)propoxy]-2-fluoropropan-1-ol
CID 167254248
1-(Propan-2-ylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 43166139
1-(Propan-2-ylamino)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 43166268
N-ethyl-1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 55094051
1-(2-Butoxyethoxy)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632595
2-[2-(2,2,2-Trifluoroethoxy)ethylamino]butan-1-ol
CID 61490596
2-[3-(2,2,2-Trifluoroethoxy)propylamino]butan-1-ol
CID 61491081
2-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]propan-1-ol
CID 61491122
1-[3-(2,2,2-Trifluoroethoxy)propylamino]propan-2-ol
CID 61491124
2-[3-(2,2,2-Trifluoroethoxy)propylamino]propan-1-ol
CID 61491125
4-Methoxy-2-methyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 61873000

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The IUPAC name of 2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol (CID 66275325) is 2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol is CCNC(CO)CCOC(C)C(F)(F)F.
What is the InChIKey of 2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The InChIKey is NXZXBHLTQJHXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-3-13-8(6-14)4-5-15-7(2)9(10,11)12/h7-8,13-14H,3-6H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol has a molecular weight of 229.24 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol is sourced from PubChem (CID 66275325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).