ethane;1,1,1-trifluoro-4-methylpentane

C8H17F3 — CID 142517870

IUPACethane;1,1,1-trifluoro-4-methylpentane
SMILESCC.CC(C)CCC(F)(F)F
InChIInChI=1S/C6H11F3.C2H6/c1-5(2)3-4-6(7,8)9;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyRYBFHTWQUXHVHU-UHFFFAOYSA-N
MW170.22 g/mol
LogP4.01
Rot. Bonds2

About ethane;1,1,1-trifluoro-4-methylpentane

ethane;1,1,1-trifluoro-4-methylpentane (PubChem CID 142517870) has the molecular formula C8H17F3 and a molecular weight of 170.22 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-4-methylpentane.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-4-methylpentane
PubChem CID142517870
Molecular FormulaC8H17F3
Molecular Weight170.22 g/mol
Exact Mass170.13
IUPAC Nameethane;1,1,1-trifluoro-4-methylpentane
SMILESCC.CC(C)CCC(F)(F)F
InChIInChI=1S/C6H11F3.C2H6/c1-5(2)3-4-6(7,8)9;1-2/h5H,3-4H2,1-2H3;1-2H3
InChIKeyRYBFHTWQUXHVHU-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
CID 169212435
1,1,1-trifluoro-7-methyl-4-(3,3,3-trifluoropropyl)octane
CID 162503458
1,1,1-trifluoro-8-methylnon-4-ene
CID 123891498
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
6,6-difluoro-2,10-dimethylundecane
CID 169289858
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
1,1,1-trifluoro-4-(2-methylpropoxy)pentane
CID 170367964
ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
CID 153342663
1,1,1,2,2,3-hexafluoro-6-methylheptan-3-amine
CID 22348872
N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64566711
5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
6,6,6-trifluoro-2-methylhexan-3-ol
CID 64566136

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-4-methylpentane?
The IUPAC name of ethane;1,1,1-trifluoro-4-methylpentane (CID 142517870) is ethane;1,1,1-trifluoro-4-methylpentane.
What is the SMILES notation for ethane;1,1,1-trifluoro-4-methylpentane?
The canonical SMILES for ethane;1,1,1-trifluoro-4-methylpentane is CC.CC(C)CCC(F)(F)F.
What is the InChIKey of ethane;1,1,1-trifluoro-4-methylpentane?
The InChIKey is RYBFHTWQUXHVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3.C2H6/c1-5(2)3-4-6(7,8)9;1-2/h5H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;1,1,1-trifluoro-4-methylpentane?
ethane;1,1,1-trifluoro-4-methylpentane has a molecular weight of 170.22 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1-trifluoro-4-methylpentane is sourced from PubChem (CID 142517870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).