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

C16H26F2 — CID 171834491

IUPAC(2-ethyl-3,3-difluoropentyl)benzene;propane
SMILESCCC.CCC(Cc1ccccc1)C(F)(F)CC
InChIInChI=1S/C13H18F2.C3H8/c1-3-12(13(14,15)4-2)10-11-8-6-5-7-9-11;1-3-2/h5-9,12H,3-4,10H2,1-2H3;3H2,1-2H3
InChIKeyHYTSFOLEDUVBDI-UHFFFAOYSA-N
MW256.38 g/mol
LogP5.72
Rot. Bonds5

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

(2-ethyl-3,3-difluoropentyl)benzene;propane (PubChem CID 171834491) has the molecular formula C16H26F2 and a molecular weight of 256.38 g/mol. Its IUPAC name is (2-ethyl-3,3-difluoropentyl)benzene;propane.

Molecular Properties

Compound Name(2-ethyl-3,3-difluoropentyl)benzene;propane
PubChem CID171834491
Molecular FormulaC16H26F2
Molecular Weight256.38 g/mol
Exact Mass256.20
IUPAC Name(2-ethyl-3,3-difluoropentyl)benzene;propane
SMILESCCC.CCC(Cc1ccccc1)C(F)(F)CC
InChIInChI=1S/C13H18F2.C3H8/c1-3-12(13(14,15)4-2)10-11-8-6-5-7-9-11;1-3-2/h5-9,12H,3-4,10H2,1-2H3;3H2,1-2H3
InChIKeyHYTSFOLEDUVBDI-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.38
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2-ethyl-3,3-difluoropentyl)benzene
CID 171834492
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
CID 101465412
(3S)-3-benzyl-4,4-dimethylhexan-1-amine
CID 71001493
2,2-difluorobutylbenzene
CID 12695736
2-ethylbutylbenzene;methane
CID 158777195
2,2-difluoro-1-phenylmethoxybutan-1-amine
CID 54533469
2-iodobutylbenzene
CID 11196235
N-ethyl-1-phenyl-N-(trifluoromethyl)propan-2-amine
CID 154197554
(2-bromo-3,3-dimethylpentyl)benzene
CID 63529714
2,2-difluoro-1-phenylbutan-1-ol
CID 15783630
3,3-diethyl-1-phenylpentan-2-ol
CID 141275578
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3,3-difluoropentyl)benzene;propane?
The IUPAC name of (2-ethyl-3,3-difluoropentyl)benzene;propane (CID 171834491) is (2-ethyl-3,3-difluoropentyl)benzene;propane.
What is the SMILES notation for (2-ethyl-3,3-difluoropentyl)benzene;propane?
The canonical SMILES for (2-ethyl-3,3-difluoropentyl)benzene;propane is CCC.CCC(Cc1ccccc1)C(F)(F)CC.
What is the InChIKey of (2-ethyl-3,3-difluoropentyl)benzene;propane?
The InChIKey is HYTSFOLEDUVBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2.C3H8/c1-3-12(13(14,15)4-2)10-11-8-6-5-7-9-11;1-3-2/h5-9,12H,3-4,10H2,1-2H3;3H2,1-2H3.
What are the key properties of (2-ethyl-3,3-difluoropentyl)benzene;propane?
(2-ethyl-3,3-difluoropentyl)benzene;propane has a molecular weight of 256.38 g/mol, XLogP of 5.72, 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;propane is sourced from PubChem (CID 171834491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).