(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane

C7H10F6 — CID 162578568

IUPAC(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane
SMILESCCC([C@H](C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-5(7(11,12)13)4(2)6(8,9)10/h4-5H,3H2,1-2H3/t4-,5?/m0/s1
InChIKeyCFLHMODPHUBNOS-ROLXFIACSA-N
MW208.14 g/mol
LogP3.77
Rot. Bonds2

About (2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane

(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane (PubChem CID 162578568) has the molecular formula C7H10F6 and a molecular weight of 208.14 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane
PubChem CID162578568
Molecular FormulaC7H10F6
Molecular Weight208.14 g/mol
Exact Mass208.07
IUPAC Name(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane
SMILESCCC([C@H](C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-5(7(11,12)13)4(2)6(8,9)10/h4-5H,3H2,1-2H3/t4-,5?/m0/s1
InChIKeyCFLHMODPHUBNOS-ROLXFIACSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane?
The IUPAC name of (2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane (CID 162578568) is (2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane is CCC([C@H](C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane?
The InChIKey is CFLHMODPHUBNOS-ROLXFIACSA-N. The full InChI is InChI=1S/C7H10F6/c1-3-5(7(11,12)13)4(2)6(8,9)10/h4-5H,3H2,1-2H3/t4-,5?/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane?
(2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane has a molecular weight of 208.14 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)pentane is sourced from PubChem (CID 162578568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).