3-(difluoromethoxy)heptane

C8H16F2O — CID 162428896

IUPAC3-(difluoromethoxy)heptane
SMILESCCCCC(CC)OC(F)F
InChIInChI=1S/C8H16F2O/c1-3-5-6-7(4-2)11-8(9)10/h7-8H,3-6H2,1-2H3
InChIKeyBCKXDZBVNXVCAB-UHFFFAOYSA-N
MW166.21 g/mol
LogP3.19
Rot. Bonds6

About 3-(difluoromethoxy)heptane

3-(difluoromethoxy)heptane (PubChem CID 162428896) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 3-(difluoromethoxy)heptane.

Molecular Properties

Compound Name3-(difluoromethoxy)heptane
PubChem CID162428896
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name3-(difluoromethoxy)heptane
SMILESCCCCC(CC)OC(F)F
InChIInChI=1S/C8H16F2O/c1-3-5-6-7(4-2)11-8(9)10/h7-8H,3-6H2,1-2H3
InChIKeyBCKXDZBVNXVCAB-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(difluoromethoxy)pentan-1-amine
CID 84716511
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
nonan-5-yl hypofluorite
CID 174958722
3-propoxyheptane
CID 91289422
3-(2,2-dimethylpropoxy)heptane
CID 91257292
4-fluoro-3-methyloctane
CID 89416555
3-(difluoromethoxymethyl)heptane
CID 162429038
diheptan-3-yl carbonate
CID 87131933
5-ethyl-7-(7-ethylundecan-5-yloxy)undecane
CID 57166671
1-chloro-2-(1-chlorohexan-2-yloxy)hexane
CID 22186469
1-iodo-2-(1-iodohexan-2-yloxy)hexane
CID 89313125

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)heptane?
The IUPAC name of 3-(difluoromethoxy)heptane (CID 162428896) is 3-(difluoromethoxy)heptane.
What is the SMILES notation for 3-(difluoromethoxy)heptane?
The canonical SMILES for 3-(difluoromethoxy)heptane is CCCCC(CC)OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)heptane?
The InChIKey is BCKXDZBVNXVCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-3-5-6-7(4-2)11-8(9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)heptane?
3-(difluoromethoxy)heptane has a molecular weight of 166.21 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)heptane is sourced from PubChem (CID 162428896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).