2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol

C7H13F3O2 — CID 162612061

IUPAC2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol
SMILESCC(CO)COC(F)(F)C(C)F
InChIInChI=1S/C7H13F3O2/c1-5(3-11)4-12-7(9,10)6(2)8/h5-6,11H,3-4H2,1-2H3
InChIKeyQKWNBHRSEJAJDG-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.58
Rot. Bonds5

About 2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol

2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol (PubChem CID 162612061) has the molecular formula C7H13F3O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol
PubChem CID162612061
Molecular FormulaC7H13F3O2
Molecular Weight186.17 g/mol
Exact Mass186.09
IUPAC Name2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol
SMILESCC(CO)COC(F)(F)C(C)F
InChIInChI=1S/C7H13F3O2/c1-5(3-11)4-12-7(9,10)6(2)8/h5-6,11H,3-4H2,1-2H3
InChIKeyQKWNBHRSEJAJDG-UHFFFAOYSA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethyl)-1,3-propanediol
CID 14500152
3-(2,2,2-Trifluoroethoxy)propan-1-ol
CID 54592522
3,3-Difluoro-2-methylpropan-1-ol
CID 78061721
2,2-Difluoro-3-methoxypropan-1-ol
CID 86661942
2-(Difluoromethyl)propane-1,3-diol
CID 168025632
2-(2,2,2-Trifluoroethoxymethyl)-2-methylpropane-1,3-diol
CID 57587734
3,3,3-Trifluoro-2-(methoxymethyl)propan-1-ol
CID 167719709
3-Ethoxy-2-(trifluoromethyl)butan-1-ol
CID 21811428
1,1-Difluoro-1-methoxy-2-methylpropane;methanol
CID 54358777
3-(3,3,3-Trifluoropropoxy)propan-1-ol
CID 54394175
2-Fluoro-3-(3-fluoropropoxy)propan-1-ol
CID 56610040
3,3-Difluoro-3-(3,3,3-trifluoropropoxy)propan-1-ol
CID 57247274

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol?
The IUPAC name of 2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol (CID 162612061) is 2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol?
The canonical SMILES for 2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol is CC(CO)COC(F)(F)C(C)F.
What is the InChIKey of 2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol?
The InChIKey is QKWNBHRSEJAJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O2/c1-5(3-11)4-12-7(9,10)6(2)8/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol?
2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol has a molecular weight of 186.17 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol is sourced from PubChem (CID 162612061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).