(2-ethyl-3,3-difluoropentyl)benzene

C13H18F2 — CID 171834492

IUPAC(2-ethyl-3,3-difluoropentyl)benzene
SMILESCCC(Cc1ccccc1)C(F)(F)CC
InChIInChI=1S/C13H18F2/c1-3-12(13(14,15)4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyYUMQLVMDNQUYOS-UHFFFAOYSA-N
MW212.28 g/mol
LogP4.30
Rot. Bonds5

About (2-ethyl-3,3-difluoropentyl)benzene

(2-ethyl-3,3-difluoropentyl)benzene (PubChem CID 171834492) has the molecular formula C13H18F2 and a molecular weight of 212.28 g/mol. Its IUPAC name is (2-ethyl-3,3-difluoropentyl)benzene.

Molecular Properties

Compound Name(2-ethyl-3,3-difluoropentyl)benzene
PubChem CID171834492
Molecular FormulaC13H18F2
Molecular Weight212.28 g/mol
Exact Mass212.14
IUPAC Name(2-ethyl-3,3-difluoropentyl)benzene
SMILESCCC(Cc1ccccc1)C(F)(F)CC
InChIInChI=1S/C13H18F2/c1-3-12(13(14,15)4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKeyYUMQLVMDNQUYOS-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Cymene
CID 7463
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Tert-Butylbenzene
CID 7366
1,4-Diethylbenzene
CID 7734

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3,3-difluoropentyl)benzene?
The IUPAC name of (2-ethyl-3,3-difluoropentyl)benzene (CID 171834492) is (2-ethyl-3,3-difluoropentyl)benzene.
What is the SMILES notation for (2-ethyl-3,3-difluoropentyl)benzene?
The canonical SMILES for (2-ethyl-3,3-difluoropentyl)benzene is CCC(Cc1ccccc1)C(F)(F)CC.
What is the InChIKey of (2-ethyl-3,3-difluoropentyl)benzene?
The InChIKey is YUMQLVMDNQUYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2/c1-3-12(13(14,15)4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3.
What are the key properties of (2-ethyl-3,3-difluoropentyl)benzene?
(2-ethyl-3,3-difluoropentyl)benzene has a molecular weight of 212.28 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3,3-difluoropentyl)benzene is sourced from PubChem (CID 171834492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).