4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol

C10H18F4O2 — CID 18965846

IUPAC4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol
SMILESCCCC(F)C(F)COCC(F)C(F)CO
InChIInChI=1S/C10H18F4O2/c1-2-3-7(11)9(13)5-16-6-10(14)8(12)4-15/h7-10,15H,2-6H2,1H3
InChIKeyLMGHEQCLXAAPOI-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.15
Rot. Bonds9

About 4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol

4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol (PubChem CID 18965846) has the molecular formula C10H18F4O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol.

Molecular Properties

Compound Name4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol
PubChem CID18965846
Molecular FormulaC10H18F4O2
Molecular Weight246.24 g/mol
Exact Mass246.12
IUPAC Name4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol
SMILESCCCC(F)C(F)COCC(F)C(F)CO
InChIInChI=1S/C10H18F4O2/c1-2-3-7(11)9(13)5-16-6-10(14)8(12)4-15/h7-10,15H,2-6H2,1H3
InChIKeyLMGHEQCLXAAPOI-UHFFFAOYSA-N
XLogP2.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,2,3,3,4,4,4-Heptafluorobutoxy)hexan-1-ol
CID 117636354
4-(Hexyloxy)-1-butanol
CID 20665
(2R)-2-fluoro-3-hexoxypropan-1-ol
CID 134933857
2-Fluoro-3-hexoxypropan-1-ol
CID 14618593
6-(2-Butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol
CID 18995451
1,1,2,2,3,3,4,4-Octafluoro-4-(2-hexoxyethoxy)butan-1-ol
CID 18995487
1,1,2,2,3,3,4,5,5,6,6,6-Dodecafluoro-4-(2-hexoxyethoxy)hexan-1-ol
CID 18995499
2,2,3,3,4,4,5,5-Octafluoro-6-propoxyhexan-1-ol
CID 19028483
1,2,4-Trifluoro-3-hexoxybutan-1-ol
CID 19905073
6-Ethoxy-2,2,3,3,4,4,5,5-octafluorohexanol
CID 20082780
6-Hydroxyhexyl perfluoroisopropyl ether
CID 20325693
4-[(2R,3R)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol
CID 22844893

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol?
The IUPAC name of 4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol (CID 18965846) is 4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol.
What is the SMILES notation for 4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol?
The canonical SMILES for 4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol is CCCC(F)C(F)COCC(F)C(F)CO.
What is the InChIKey of 4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol?
The InChIKey is LMGHEQCLXAAPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4O2/c1-2-3-7(11)9(13)5-16-6-10(14)8(12)4-15/h7-10,15H,2-6H2,1H3.
What are the key properties of 4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol?
4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol has a molecular weight of 246.24 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorohexoxy)-2,3-difluorobutan-1-ol is sourced from PubChem (CID 18965846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).