3-ethyl-2,2-difluorohexane

C8H16F2 — CID 155700319

IUPAC3-ethyl-2,2-difluorohexane
SMILESCCCC(CC)C(C)(F)F
InChIInChI=1S/C8H16F2/c1-4-6-7(5-2)8(3,9)10/h7H,4-6H2,1-3H3
InChIKeyXBUXASGPNSROBI-UHFFFAOYSA-N
MW150.21 g/mol
LogP3.47
Rot. Bonds4

About 3-ethyl-2,2-difluorohexane

3-ethyl-2,2-difluorohexane (PubChem CID 155700319) has the molecular formula C8H16F2 and a molecular weight of 150.21 g/mol. Its IUPAC name is 3-ethyl-2,2-difluorohexane.

Molecular Properties

Compound Name3-ethyl-2,2-difluorohexane
PubChem CID155700319
Molecular FormulaC8H16F2
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name3-ethyl-2,2-difluorohexane
SMILESCCCC(CC)C(C)(F)F
InChIInChI=1S/C8H16F2/c1-4-6-7(5-2)8(3,9)10/h7H,4-6H2,1-3H3
InChIKeyXBUXASGPNSROBI-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2-fluoropropan-2-yl)heptane
CID 143311381
3-ethyl-2,2-difluorohexanoic acid
CID 53443924
(5S)-5-(2-fluoropropan-2-yl)-3-methyloctane
CID 163585201
2-(2-fluoropropan-2-yl)pentan-1-amine
CID 105429102
2-(2-fluoropropan-2-yl)pentan-1-ol
CID 84763082
4-ethyl-3,3-dimethylhept-1-yne
CID 143369467
5-(1,1-difluoroethyl)oct-1-yn-3-one
CID 176969265
3,5-diethyl-4,4-difluoroheptane
CID 137390783
1,3,3-trifluoro-2-(fluoromethyl)butane
CID 13207097
4-ethylheptane-3,3-diamine
CID 87457758
3-ethyl-4-fluoro-4-methylpentan-1-amine
CID 105429104
3,4-diethylheptan-3-ylphosphane;hydrobromide
CID 173000977

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,2-difluorohexane?
The IUPAC name of 3-ethyl-2,2-difluorohexane (CID 155700319) is 3-ethyl-2,2-difluorohexane.
What is the SMILES notation for 3-ethyl-2,2-difluorohexane?
The canonical SMILES for 3-ethyl-2,2-difluorohexane is CCCC(CC)C(C)(F)F.
What is the InChIKey of 3-ethyl-2,2-difluorohexane?
The InChIKey is XBUXASGPNSROBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2/c1-4-6-7(5-2)8(3,9)10/h7H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-2,2-difluorohexane?
3-ethyl-2,2-difluorohexane has a molecular weight of 150.21 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,2-difluorohexane is sourced from PubChem (CID 155700319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).