3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol

C7H14F3NO2 — CID 43753380

IUPAC3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol
SMILESNCCC(OCCCO)C(F)(F)F
InChIInChI=1S/C7H14F3NO2/c8-7(9,10)6(2-3-11)13-5-1-4-12/h6,12H,1-5,11H2
InChIKeyYARCUCBDLLCLBS-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.67
Rot. Bonds6

About 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol

3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol (PubChem CID 43753380) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol
PubChem CID43753380
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC Name3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol
SMILESNCCC(OCCCO)C(F)(F)F
InChIInChI=1S/C7H14F3NO2/c8-7(9,10)6(2-3-11)13-5-1-4-12/h6,12H,1-5,11H2
InChIKeyYARCUCBDLLCLBS-UHFFFAOYSA-N
XLogP0.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Amino-1,1,1-trifluorobutan-2-ol
CID 11205810
4-Amino-1,1-difluorobutan-2-ol
CID 89933245
4-Amino-1,3-difluorobutan-2-ol
CID 90776814
(S)-4-Amino-1,1,1-trifluorobutan-2-ol
CID 51886728
4-Amino-1,1,1-trifluorobutan-2-ol hydrochloride
CID 54592832
4-Amino-1,1,1-trifluorobutane-2,3-diol
CID 87593889
1-Amino-4,4,4-trifluorobutane-1,3-diol
CID 142800496
3-(3-Amino-2,2-difluoropropoxy)-2,2-difluoropropan-1-ol
CID 147227258
3-(3-Amino-2,2-difluoropropoxy)-2-fluoropropan-1-ol
CID 148013536
3-(3-Amino-2-fluoropropoxy)propan-1-ol
CID 148439428
3-(3-Amino-2,2-difluoropropoxy)propan-1-ol
CID 148542682
3-(3-Aminopropoxy)-2,2-difluoropropan-1-ol
CID 149211410

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol?
The IUPAC name of 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol (CID 43753380) is 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol.
What is the SMILES notation for 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol?
The canonical SMILES for 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol is NCCC(OCCCO)C(F)(F)F.
What is the InChIKey of 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol?
The InChIKey is YARCUCBDLLCLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2/c8-7(9,10)6(2-3-11)13-5-1-4-12/h6,12H,1-5,11H2.
What are the key properties of 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol?
3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol has a molecular weight of 201.19 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1,1,1-trifluorobutan-2-yl)oxypropan-1-ol is sourced from PubChem (CID 43753380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).