4-butoxy-2,3-difluorobutan-1-ol

C8H16F2O2 — CID 18965840

IUPAC4-butoxy-2,3-difluorobutan-1-ol
SMILESCCCCOCC(F)C(F)CO
InChIInChI=1S/C8H16F2O2/c1-2-3-4-12-6-8(10)7(9)5-11/h7-8,11H,2-6H2,1H3
InChIKeyFKKGMFFMRYQRAU-UHFFFAOYSA-N
MW182.21 g/mol
LogP1.47
Rot. Bonds7

About 4-butoxy-2,3-difluorobutan-1-ol

4-butoxy-2,3-difluorobutan-1-ol (PubChem CID 18965840) has the molecular formula C8H16F2O2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 4-butoxy-2,3-difluorobutan-1-ol.

Molecular Properties

Compound Name4-butoxy-2,3-difluorobutan-1-ol
PubChem CID18965840
Molecular FormulaC8H16F2O2
Molecular Weight182.21 g/mol
Exact Mass182.11
IUPAC Name4-butoxy-2,3-difluorobutan-1-ol
SMILESCCCCOCC(F)C(F)CO
InChIInChI=1S/C8H16F2O2/c1-2-3-4-12-6-8(10)7(9)5-11/h7-8,11H,2-6H2,1H3
InChIKeyFKKGMFFMRYQRAU-UHFFFAOYSA-N
XLogP1.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Butoxybutan-1-ol
CID 20111
Butanol, oxybis-
CID 76946
2,2-Difluoro-4-methoxybutan-1-ol
CID 165639515
3-(4-Ethoxybutoxy)propan-1-ol
CID 53632203
2,3-Difluoro-4-methoxybutan-1-ol
CID 18965852
4-Butoxy-1,1,2,2,3,3,4,4-octafluorobutan-1-ol
CID 18995412
4-(4-Butoxybutoxy)-1,1,2,2,3,3,4,4-octafluorobutan-1-ol
CID 18995431
4-(4,4,4-Trifluorobutoxy)butan-1-ol
CID 53821623
4-(2,3-Difluorobutoxy)butan-1-ol
CID 53859703
4-(3,3,3-Trifluoropropoxy)butan-1-ol
CID 59527215
4-(2,2,2-Trifluoroethoxy)butan-1-ol
CID 62605771
4-[4-(1,2,2,3,3,4,4,4-Octafluorobutoxy)butoxy]butan-1-ol
CID 88340559

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2,3-difluorobutan-1-ol?
The IUPAC name of 4-butoxy-2,3-difluorobutan-1-ol (CID 18965840) is 4-butoxy-2,3-difluorobutan-1-ol.
What is the SMILES notation for 4-butoxy-2,3-difluorobutan-1-ol?
The canonical SMILES for 4-butoxy-2,3-difluorobutan-1-ol is CCCCOCC(F)C(F)CO.
What is the InChIKey of 4-butoxy-2,3-difluorobutan-1-ol?
The InChIKey is FKKGMFFMRYQRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O2/c1-2-3-4-12-6-8(10)7(9)5-11/h7-8,11H,2-6H2,1H3.
What are the key properties of 4-butoxy-2,3-difluorobutan-1-ol?
4-butoxy-2,3-difluorobutan-1-ol has a molecular weight of 182.21 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2,3-difluorobutan-1-ol is sourced from PubChem (CID 18965840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).