ethane;1,1,1-trifluoro-2-methylpropane

C8H19F3 — CID 155727070

IUPACethane;1,1,1-trifluoro-2-methylpropane
SMILESCC.CC.CC(C)C(F)(F)F
InChIInChI=1S/C4H7F3.2C2H6/c1-3(2)4(5,6)7;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyLFLHQJKDZORVPF-UHFFFAOYSA-N
MW172.23 g/mol
LogP4.26
Rot. Bonds

About ethane;1,1,1-trifluoro-2-methylpropane

ethane;1,1,1-trifluoro-2-methylpropane (PubChem CID 155727070) has the molecular formula C8H19F3 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethane;1,1,1-trifluoro-2-methylpropane.

Molecular Properties

Compound Nameethane;1,1,1-trifluoro-2-methylpropane
PubChem CID155727070
Molecular FormulaC8H19F3
Molecular Weight172.23 g/mol
Exact Mass172.14
IUPAC Nameethane;1,1,1-trifluoro-2-methylpropane
SMILESCC.CC.CC(C)C(F)(F)F
InChIInChI=1S/C4H7F3.2C2H6/c1-3(2)4(5,6)7;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyLFLHQJKDZORVPF-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
1,1,1-trifluoropropan-2-ylphosphane
CID 174317925
3-bromo-1,1,1-trifluoro-2-methylpropane
CID 71756869
ethane;1,1,1-trifluoro-2-methylsulfanylpropane
CID 54001093
2-deuterio-2-methylpropane;2,2-dideuteriobutane;2-methylpropane;1,1,1-trifluoro-2-methylpropane
CID 165052307
2-chloro-2-fluoro-3-methylbutane
CID 88897527
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine
CID 159945347
3,3-difluoro-2,2,4-trimethylpentane
CID 88950288
(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 89330096
methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane
CID 161018111
methane;1,1,1-trifluoro-2,3-dimethylbutane
CID 157393455

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoro-2-methylpropane?
The IUPAC name of ethane;1,1,1-trifluoro-2-methylpropane (CID 155727070) is ethane;1,1,1-trifluoro-2-methylpropane.
What is the SMILES notation for ethane;1,1,1-trifluoro-2-methylpropane?
The canonical SMILES for ethane;1,1,1-trifluoro-2-methylpropane is CC.CC.CC(C)C(F)(F)F.
What is the InChIKey of ethane;1,1,1-trifluoro-2-methylpropane?
The InChIKey is LFLHQJKDZORVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3.2C2H6/c1-3(2)4(5,6)7;2*1-2/h3H,1-2H3;2*1-2H3.
What are the key properties of ethane;1,1,1-trifluoro-2-methylpropane?
ethane;1,1,1-trifluoro-2-methylpropane has a molecular weight of 172.23 g/mol, XLogP of 4.26, 0 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-2-methylpropane is sourced from PubChem (CID 155727070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).