3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane

C9H17F3 — CID 166136871

IUPAC3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane
SMILESCCC(C(C)C)C(C)C(F)(F)F
InChIInChI=1S/C9H17F3/c1-5-8(6(2)3)7(4)9(10,11)12/h6-8H,5H2,1-4H3
InChIKeyYMKDUPHSGNFJQP-UHFFFAOYSA-N
MW182.23 g/mol
LogP3.87
Rot. Bonds3

About 3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane

3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane (PubChem CID 166136871) has the molecular formula C9H17F3 and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane.

Molecular Properties

Compound Name3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane
PubChem CID166136871
Molecular FormulaC9H17F3
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane
SMILESCCC(C(C)C)C(C)C(F)(F)F
InChIInChI=1S/C9H17F3/c1-5-8(6(2)3)7(4)9(10,11)12/h6-8H,5H2,1-4H3
InChIKeyYMKDUPHSGNFJQP-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane
CID 162578568
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455
3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
CID 158873092
(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
(3S)-3-ethyl-2,2-difluoro-4-methylpentane
CID 178144568
1,1,1-trifluoro-2,3,3,5-tetramethyl-4-propan-2-ylhexane
CID 170180258
1,1,1-trifluoro-2,3,3-trimethylheptane
CID 126723403
(3S)-2,2-difluoro-3-methylpentane
CID 129370790
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane?
The IUPAC name of 3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane (CID 166136871) is 3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane.
What is the SMILES notation for 3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane?
The canonical SMILES for 3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane is CCC(C(C)C)C(C)C(F)(F)F.
What is the InChIKey of 3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane?
The InChIKey is YMKDUPHSGNFJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3/c1-5-8(6(2)3)7(4)9(10,11)12/h6-8H,5H2,1-4H3.
What are the key properties of 3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane?
3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane has a molecular weight of 182.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane is sourced from PubChem (CID 166136871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).