1-(1,1-difluoroethoxy)pentane

C7H14F2O — CID 54098302

IUPAC1-(1,1-difluoroethoxy)pentane
SMILESCCCCCOC(C)(F)F
InChIInChI=1S/C7H14F2O/c1-3-4-5-6-10-7(2,8)9/h3-6H2,1-2H3
InChIKeyNNARYMPKQAXEBG-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.81
Rot. Bonds5

About 1-(1,1-difluoroethoxy)pentane

1-(1,1-difluoroethoxy)pentane (PubChem CID 54098302) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)pentane.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)pentane
PubChem CID54098302
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name1-(1,1-difluoroethoxy)pentane
SMILESCCCCCOC(C)(F)F
InChIInChI=1S/C7H14F2O/c1-3-4-5-6-10-7(2,8)9/h3-6H2,1-2H3
InChIKeyNNARYMPKQAXEBG-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4-Octafluoro-5-(1,1,2,2-tetrafluoroethoxy)pentane
CID 2782579
n-Butyl 1,1,2,2-tetrafluoroethyl ether
CID 9659
1-Ethoxy-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
CID 23432499
1,1,1,2,2,3,3,4,4-Nonafluoro-6-propoxyhexane
CID 44480565
1,1,1,2,2,3,3,4,4-Nonafluoro-6-(pentyloxy)hexane
CID 44480566
1-Fluoro-5-methoxypentane
CID 9770
Decafluoro-di-n-pentylether
CID 11688646
1-(Difluoromethoxy)butane
CID 23221702
6-Ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
CID 54330931
4-Fluoro-1-methoxypentane
CID 154716146
1-(2,2,2-Trifluoro-ethoxy)-pentane
CID 12643281
Butyl 2,2-difluoropropyl ether
CID 15062441

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)pentane?
The IUPAC name of 1-(1,1-difluoroethoxy)pentane (CID 54098302) is 1-(1,1-difluoroethoxy)pentane.
What is the SMILES notation for 1-(1,1-difluoroethoxy)pentane?
The canonical SMILES for 1-(1,1-difluoroethoxy)pentane is CCCCCOC(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethoxy)pentane?
The InChIKey is NNARYMPKQAXEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-3-4-5-6-10-7(2,8)9/h3-6H2,1-2H3.
What are the key properties of 1-(1,1-difluoroethoxy)pentane?
1-(1,1-difluoroethoxy)pentane has a molecular weight of 152.18 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)pentane is sourced from PubChem (CID 54098302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).