2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane

C14H25F3 — CID 143247210

IUPAC2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane
SMILESCC.CCC1CC2CC1C(C(F)(F)F)C2CC
InChIInChI=1S/C12H19F3.C2H6/c1-3-7-5-8-6-10(7)11(9(8)4-2)12(13,14)15;1-2/h7-11H,3-6H2,1-2H3;1-2H3
InChIKeyXEIXMGDKIKMDIQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP5.28
Rot. Bonds2

About 2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane

2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane (PubChem CID 143247210) has the molecular formula C14H25F3 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane.

Molecular Properties

Compound Name2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane
PubChem CID143247210
Molecular FormulaC14H25F3
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane
SMILESCC.CCC1CC2CC1C(C(F)(F)F)C2CC
InChIInChI=1S/C12H19F3.C2H6/c1-3-7-5-8-6-10(7)11(9(8)4-2)12(13,14)15;1-2/h7-11H,3-6H2,1-2H3;1-2H3
InChIKeyXEIXMGDKIKMDIQ-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.35
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-diethylbicyclo[2.2.1]heptane
CID 146718976
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
2-(5,6-diethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
CID 59653751
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
ethane;2-ethyladamantane
CID 91302679
6-ethyl-3-methylbicyclo[3.2.0]heptane
CID 147399141
(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane
CID 144517019
(1S,2R,3S,5R)-3-(1,1-difluoroethyl)-5-ethylcyclopentane-1,2-diol
CID 162589509
7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane
CID 90755287
[(1R,4R,5R,6S)-5-ethenyl-6-ethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 25023106
5-ethyl-3-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 143954935
2,5-diethylbicyclo[2.1.0]pentane
CID 123547892

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane?
The IUPAC name of 2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane (CID 143247210) is 2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane.
What is the SMILES notation for 2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane?
The canonical SMILES for 2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane is CC.CCC1CC2CC1C(C(F)(F)F)C2CC.
What is the InChIKey of 2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane?
The InChIKey is XEIXMGDKIKMDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3.C2H6/c1-3-7-5-8-6-10(7)11(9(8)4-2)12(13,14)15;1-2/h7-11H,3-6H2,1-2H3;1-2H3.
What are the key properties of 2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane?
2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane has a molecular weight of 250.35 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane is sourced from PubChem (CID 143247210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).