3-ethyl-1,1-difluoropentane

C7H14F2 — CID 121258317

IUPAC3-ethyl-1,1-difluoropentane
SMILESCCC(CC)CC(F)F
InChIInChI=1S/C7H14F2/c1-3-6(4-2)5-7(8)9/h6-7H,3-5H2,1-2H3
InChIKeyGJZKEXFNHBZOBQ-UHFFFAOYSA-N
MW136.19 g/mol
LogP3.08
Rot. Bonds4

About 3-ethyl-1,1-difluoropentane

3-ethyl-1,1-difluoropentane (PubChem CID 121258317) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-ethyl-1,1-difluoropentane.

Molecular Properties

Compound Name3-ethyl-1,1-difluoropentane
PubChem CID121258317
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name3-ethyl-1,1-difluoropentane
SMILESCCC(CC)CC(F)F
InChIInChI=1S/C7H14F2/c1-3-6(4-2)5-7(8)9/h6-7H,3-5H2,1-2H3
InChIKeyGJZKEXFNHBZOBQ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 112562625
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[2-(2,2-difluoroethyl)-4,4-difluorobutyl]-ethylazanide
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1,1-difluoropentan-3-amine
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(5S)-3-ethyl-5-methylheptane
CID 59094044
3,7-diethyl-5-pentan-3-ylnonane
CID 173210020
bis(4-ethyl-2-methylhexane);2-methylbutane
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(2R)-4,4-difluoro-N,N-dimethylbutan-2-amine
CID 174323846
1,1-difluoropropane;ethane;2-methylbutane
CID 176705110
3,6-diethyloctane
CID 526424
4-ethyl-1-methoxy-2-(methoxymethyl)hexane
CID 174960180
1-bromo-2-(2,2-difluoroethoxymethyl)butane
CID 82004964

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-difluoropentane?
The IUPAC name of 3-ethyl-1,1-difluoropentane (CID 121258317) is 3-ethyl-1,1-difluoropentane.
What is the SMILES notation for 3-ethyl-1,1-difluoropentane?
The canonical SMILES for 3-ethyl-1,1-difluoropentane is CCC(CC)CC(F)F.
What is the InChIKey of 3-ethyl-1,1-difluoropentane?
The InChIKey is GJZKEXFNHBZOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2/c1-3-6(4-2)5-7(8)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-ethyl-1,1-difluoropentane?
3-ethyl-1,1-difluoropentane has a molecular weight of 136.19 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-difluoropentane is sourced from PubChem (CID 121258317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).