3,3-bis(trifluoromethyl)pentane

C7H10F6 — CID 19091141

IUPAC3,3-bis(trifluoromethyl)pentane
SMILESCCC(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-5(4-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyNPSRBSXJNVUUBM-UHFFFAOYSA-N
MW208.14 g/mol
LogP3.92
Rot. Bonds2

About 3,3-bis(trifluoromethyl)pentane

3,3-bis(trifluoromethyl)pentane (PubChem CID 19091141) has the molecular formula C7H10F6 and a molecular weight of 208.14 g/mol. Its IUPAC name is 3,3-bis(trifluoromethyl)pentane.

Molecular Properties

Compound Name3,3-bis(trifluoromethyl)pentane
PubChem CID19091141
Molecular FormulaC7H10F6
Molecular Weight208.14 g/mol
Exact Mass208.07
IUPAC Name3,3-bis(trifluoromethyl)pentane
SMILESCCC(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6/c1-3-5(4-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyNPSRBSXJNVUUBM-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-bis(trifluoromethyl)pentane?
The IUPAC name of 3,3-bis(trifluoromethyl)pentane (CID 19091141) is 3,3-bis(trifluoromethyl)pentane.
What is the SMILES notation for 3,3-bis(trifluoromethyl)pentane?
The canonical SMILES for 3,3-bis(trifluoromethyl)pentane is CCC(CC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3-bis(trifluoromethyl)pentane?
The InChIKey is NPSRBSXJNVUUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6/c1-3-5(4-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3.
What are the key properties of 3,3-bis(trifluoromethyl)pentane?
3,3-bis(trifluoromethyl)pentane has a molecular weight of 208.14 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(trifluoromethyl)pentane is sourced from PubChem (CID 19091141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).