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

C7H5F9O — CID 87459958

IUPAC2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
SMILESC=CCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c1-2-3-17-7(15,16)4(8,5(9,10)11)6(12,13)14/h2H,1,3H2
InChIKeyBGSRZDRATVXBSA-UHFFFAOYSA-N
MW276.10 g/mol
LogP3.61
Rot. Bonds4

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

2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane (PubChem CID 87459958) has the molecular formula C7H5F9O and a molecular weight of 276.10 g/mol. Its IUPAC name is 2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane.

Molecular Properties

Compound Name2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
PubChem CID87459958
Molecular FormulaC7H5F9O
Molecular Weight276.10 g/mol
Exact Mass276.02
IUPAC Name2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
SMILESC=CCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F9O/c1-2-3-17-7(15,16)4(8,5(9,10)11)6(12,13)14/h2H,1,3H2
InChIKeyBGSRZDRATVXBSA-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 22450708
3,3-bis(prop-2-enoxy)penta-1,4-diene
CID 11769137
CID 18764222
CID 18764222
2,2,3,4,4-pentafluoro-3-prop-2-enoxypentanedioic acid
CID 88753540
2-[difluoro(methoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 4156734
2-ethyl-2-prop-2-enoxypropane-1,3-diol
CID 11457842
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl)oxypropane
CID 75412010
(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite
CID 153281481
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-prop-2-enoxytridecane
CID 91130093
6-bromo-5,5-difluorohex-1-ene
CID 10512188
2,2,4-trimethyl-4-prop-2-enoxypentane
CID 118027020
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-10-prop-2-enoxydecane
CID 102243921

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The IUPAC name of 2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane (CID 87459958) is 2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane.
What is the SMILES notation for 2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The canonical SMILES for 2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane is C=CCOC(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
The InChIKey is BGSRZDRATVXBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O/c1-2-3-17-7(15,16)4(8,5(9,10)11)6(12,13)14/h2H,1,3H2.
What are the key properties of 2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane?
2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane has a molecular weight of 276.10 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(prop-2-enoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane is sourced from PubChem (CID 87459958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).