3-(difluoromethoxy)-2-fluoroheptane

C8H15F3O — CID 87252095

IUPAC3-(difluoromethoxy)-2-fluoroheptane
SMILESCCCCC(OC(F)F)C(C)F
InChIInChI=1S/C8H15F3O/c1-3-4-5-7(6(2)9)12-8(10)11/h6-8H,3-5H2,1-2H3
InChIKeyUZQDHEOMNNBECY-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.14
Rot. Bonds6

About 3-(difluoromethoxy)-2-fluoroheptane

3-(difluoromethoxy)-2-fluoroheptane (PubChem CID 87252095) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-fluoroheptane.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-fluoroheptane
PubChem CID87252095
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name3-(difluoromethoxy)-2-fluoroheptane
SMILESCCCCC(OC(F)F)C(C)F
InChIInChI=1S/C8H15F3O/c1-3-4-5-7(6(2)9)12-8(10)11/h6-8H,3-5H2,1-2H3
InChIKeyUZQDHEOMNNBECY-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-fluoroheptane?
The IUPAC name of 3-(difluoromethoxy)-2-fluoroheptane (CID 87252095) is 3-(difluoromethoxy)-2-fluoroheptane.
What is the SMILES notation for 3-(difluoromethoxy)-2-fluoroheptane?
The canonical SMILES for 3-(difluoromethoxy)-2-fluoroheptane is CCCCC(OC(F)F)C(C)F.
What is the InChIKey of 3-(difluoromethoxy)-2-fluoroheptane?
The InChIKey is UZQDHEOMNNBECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-3-4-5-7(6(2)9)12-8(10)11/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-2-fluoroheptane?
3-(difluoromethoxy)-2-fluoroheptane has a molecular weight of 184.20 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-fluoroheptane is sourced from PubChem (CID 87252095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).