2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane

C7H7F9O — CID 22450708

IUPAC2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
SMILESCCCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-3-17-7(15,16)4(8,5(9,10)11)6(12,13)14/h2-3H2,1H3
InChIKeyWSBUFESJCQLHGZ-UHFFFAOYSA-N
MW278.11 g/mol
LogP3.84
Rot. Bonds4

About 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane

2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane (PubChem CID 22450708) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
PubChem CID22450708
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
SMILESCCCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9O/c1-2-3-17-7(15,16)4(8,5(9,10)11)6(12,13)14/h2-3H2,1H3
InChIKeyWSBUFESJCQLHGZ-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,4-heptafluorobutane
CID 58957484
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-propoxy-2-(trifluoromethyl)octane
CID 135287934
1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
CID 175046926
1-(bromomethoxy)-1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 175695876
1,1,1,2,2,3,3,5,5,5-decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
chloro-(1,1,2,2,3,3-hexafluoro-3-propoxypropyl)-methylsilane
CID 173043231
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
CID 87689733
2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 87459958
1,2,2,2-tetrafluoro-1-propoxyethanesulfonyl fluoride
CID 18400465
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 4156734
1-(1,1-dipropoxyethoxy)propane
CID 21433420
2,3,3,3-tetrafluoro-2-propoxypropanoic acid;hydrochloride
CID 88623979

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The IUPAC name of 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane (CID 22450708) is 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The canonical SMILES for 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane is CCCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The InChIKey is WSBUFESJCQLHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c1-2-3-17-7(15,16)4(8,5(9,10)11)6(12,13)14/h2-3H2,1H3.
What are the key properties of 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane has a molecular weight of 278.11 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 22450708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).