4,4,4-trifluoro-3-propoxybutan-1-ol

C7H13F3O2 — CID 19905072

IUPAC4,4,4-trifluoro-3-propoxybutan-1-ol
SMILESCCCOC(CCO)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-2-5-12-6(3-4-11)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyNQFXUYRELVEVIN-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.73
Rot. Bonds5

About 4,4,4-trifluoro-3-propoxybutan-1-ol

4,4,4-trifluoro-3-propoxybutan-1-ol (PubChem CID 19905072) has the molecular formula C7H13F3O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-propoxybutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-3-propoxybutan-1-ol
PubChem CID19905072
Molecular FormulaC7H13F3O2
Molecular Weight186.17 g/mol
Exact Mass186.09
IUPAC Name4,4,4-trifluoro-3-propoxybutan-1-ol
SMILESCCCOC(CCO)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-2-5-12-6(3-4-11)7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyNQFXUYRELVEVIN-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-3-propoxybutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Ethoxy-butan-1-OL
CID 5148119
4,4,4-Trifluoro-1,3-butanediol
CID 5231717
(3R)-4,4,4-Trifluoro-1,3-butanediol
CID 2779068
1,3-Butanediol, 4,4,4-trifluoro-, (S)-
CID 10307869
1,1,1-Trifluoro-4-methoxybutan-2-ol
CID 23297272
3-(2,2,2-Trifluoroethoxy)propan-1-ol
CID 54592522
2,2-Difluoro-3-methoxypropan-1-ol
CID 86661942
3-(Difluoromethoxy)cyclobutanol
CID 131455676
4-Ethoxy-2-butanol
CID 23083539
Rac-(1r,3r)-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol
CID 66366276
4,4,4-Trifluoro-3-methoxybutane-1,2-diol
CID 76764463
1,1,1-Trifluoropentane-2,4-diol
CID 5259803

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-propoxybutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-3-propoxybutan-1-ol (CID 19905072) is 4,4,4-trifluoro-3-propoxybutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-3-propoxybutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-3-propoxybutan-1-ol is CCCOC(CCO)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-propoxybutan-1-ol?
The InChIKey is NQFXUYRELVEVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O2/c1-2-5-12-6(3-4-11)7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-propoxybutan-1-ol?
4,4,4-trifluoro-3-propoxybutan-1-ol has a molecular weight of 186.17 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-propoxybutan-1-ol is sourced from PubChem (CID 19905072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).