4-(3,3-difluoropentoxy)butan-1-ol

C9H18F2O2 — CID 89063747

IUPAC4-(3,3-difluoropentoxy)butan-1-ol
SMILESCCC(F)(F)CCOCCCCO
InChIInChI=1S/C9H18F2O2/c1-2-9(10,11)5-8-13-7-4-3-6-12/h12H,2-8H2,1H3
InChIKeyDPLSNVLCJAHNOP-UHFFFAOYSA-N
MW196.24 g/mol
LogP2.21
Rot. Bonds8

About 4-(3,3-difluoropentoxy)butan-1-ol

4-(3,3-difluoropentoxy)butan-1-ol (PubChem CID 89063747) has the molecular formula C9H18F2O2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 4-(3,3-difluoropentoxy)butan-1-ol.

Molecular Properties

Compound Name4-(3,3-difluoropentoxy)butan-1-ol
PubChem CID89063747
Molecular FormulaC9H18F2O2
Molecular Weight196.24 g/mol
Exact Mass196.13
IUPAC Name4-(3,3-difluoropentoxy)butan-1-ol
SMILESCCC(F)(F)CCOCCCCO
InChIInChI=1S/C9H18F2O2/c1-2-9(10,11)5-8-13-7-4-3-6-12/h12H,2-8H2,1H3
InChIKeyDPLSNVLCJAHNOP-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 52.21
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

2-Fluoro-3-pentoxypropan-1-ol
CID 14618592
4-Ethoxy-5,5,5-trifluoropentan-1-ol
CID 14817039
4-Butoxy-2,3-difluorobutan-1-ol
CID 18965840
4-(2,3-Difluorohexoxy)-2,3-difluorobutan-1-ol
CID 18965846
4-(4-Butoxybutoxy)-1,1,2,2,3,3,4,4-octafluorobutan-1-ol
CID 18995431
2,2,3,3,4,4,5,5-Octafluoro-6-propoxyhexan-1-ol
CID 19028483
1,1,1-Trifluoro-5-propoxypentan-2-ol
CID 19690300
4,4,4-Trifluoro-3-pentoxybutan-1-ol
CID 19905065
6-Ethoxy-2,2,3,3,4,4,5,5-octafluorohexanol
CID 20082780
5-Butoxy-2,2,3,3,4,4-hexafluoropentanol
CID 21832552
4-[(2R,3R)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol
CID 22844893
4-[(2S,3S)-2,3-difluorohexoxy]-2,3-difluorobutan-1-ol
CID 22844894

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropentoxy)butan-1-ol?
The IUPAC name of 4-(3,3-difluoropentoxy)butan-1-ol (CID 89063747) is 4-(3,3-difluoropentoxy)butan-1-ol.
What is the SMILES notation for 4-(3,3-difluoropentoxy)butan-1-ol?
The canonical SMILES for 4-(3,3-difluoropentoxy)butan-1-ol is CCC(F)(F)CCOCCCCO.
What is the InChIKey of 4-(3,3-difluoropentoxy)butan-1-ol?
The InChIKey is DPLSNVLCJAHNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O2/c1-2-9(10,11)5-8-13-7-4-3-6-12/h12H,2-8H2,1H3.
What are the key properties of 4-(3,3-difluoropentoxy)butan-1-ol?
4-(3,3-difluoropentoxy)butan-1-ol has a molecular weight of 196.24 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropentoxy)butan-1-ol is sourced from PubChem (CID 89063747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).