2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane

C11H19F5O — CID 59271114

IUPAC2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane
SMILESCCCCC(C(F)(F)F)C(F)(F)COCCC
InChIInChI=1S/C11H19F5O/c1-3-5-6-9(11(14,15)16)10(12,13)8-17-7-4-2/h9H,3-8H2,1-2H3
InChIKeyOAOODQKOMPCDDD-UHFFFAOYSA-N
MW262.26 g/mol
LogP4.42
Rot. Bonds8

About 2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane

2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane (PubChem CID 59271114) has the molecular formula C11H19F5O and a molecular weight of 262.26 g/mol. Its IUPAC name is 2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane.

Molecular Properties

Compound Name2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane
PubChem CID59271114
Molecular FormulaC11H19F5O
Molecular Weight262.26 g/mol
Exact Mass262.14
IUPAC Name2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane
SMILESCCCCC(C(F)(F)F)C(F)(F)COCCC
InChIInChI=1S/C11H19F5O/c1-3-5-6-9(11(14,15)16)10(12,13)8-17-7-4-2/h9H,3-8H2,1-2H3
InChIKeyOAOODQKOMPCDDD-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 54.42
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

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CID 10874009
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3-(5-Ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
CID 11778000
3-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)-4-methyloxolane
CID 85267668
3-Methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
3-Methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane
CID 101115660
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
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[Ethoxy(difluoro)methyl]cyclohexane
CID 18725579
1-[Ethoxy(difluoro)methyl]-3-methylcyclohexane
CID 18731748

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane?
The IUPAC name of 2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane (CID 59271114) is 2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane.
What is the SMILES notation for 2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane?
The canonical SMILES for 2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane is CCCCC(C(F)(F)F)C(F)(F)COCCC.
What is the InChIKey of 2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane?
The InChIKey is OAOODQKOMPCDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F5O/c1-3-5-6-9(11(14,15)16)10(12,13)8-17-7-4-2/h9H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane?
2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane has a molecular weight of 262.26 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-propoxy-3-(trifluoromethyl)heptane is sourced from PubChem (CID 59271114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).