4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol

C7H14F3NO — CID 155346513

IUPAC4,4,4-trifluoro-1-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCC(CC(F)(F)F)O
InChIInChI=1S/C7H14F3NO/c1-5(2)11-4-6(12)3-7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNURWONBNCPZPAV-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.40
Rot. Bonds4

About 4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol

4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol (PubChem CID 155346513) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol
PubChem CID155346513
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name4,4,4-trifluoro-1-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NCC(CC(F)(F)F)O
InChIInChI=1S/C7H14F3NO/c1-5(2)11-4-6(12)3-7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNURWONBNCPZPAV-UHFFFAOYSA-N
XLogP1.40
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity124

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(Propan-2-yl)amino]propan-2-ol
CID 276926
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
2-((2-Hydroxypropyl)amino)propan-1-ol
CID 9833968
1-(Ethylamino)butan-2-ol
CID 19804546
1,1,1-Trifluoro-3-(methylamino)propan-2-ol
CID 22367232
(2S)-1-(ethylamino)butan-2-ol
CID 37979365
rac-(2R,3R)-3-(methylamino)butan-2-ol
CID 55287168
4,4,4-Trifluoro-1-(methylamino)butan-2-ol
CID 57512865
1-(Ethylamino)-3-fluoropropan-2-ol
CID 59154890
1-(Cyclopropylamino)butan-2-ol
CID 60884984
3-(Ethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900017
2-[(2,2,2-Trifluoroethyl)amino]butan-1-ol
CID 43499784

Frequently Asked Questions

What is the IUPAC name of 4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol (CID 155346513) is 4,4,4-trifluoro-1-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol is CC(C)NCC(CC(F)(F)F)O.
What is the InChIKey of 4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol?
The InChIKey is NURWONBNCPZPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-5(2)11-4-6(12)3-7(8,9)10/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol?
4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-Trifluoro-1-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 155346513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).