methane;propane;toluene;1,1,1-trifluoropropane

C14H25F3 — CID 157453698

IUPACmethane;propane;toluene;1,1,1-trifluoropropane
SMILESC.CCC.CCC(F)(F)F.Cc1ccccc1
InChIInChI=1S/C7H8.C3H5F3.C3H8.CH4/c1-7-5-3-2-4-6-7;1-2-3(4,5)6;1-3-2;/h2-6H,1H3;2H2,1H3;3H2,1-2H3;1H4
InChIKeyBTCHCXDLCVWATM-UHFFFAOYSA-N
MW250.35 g/mol
LogP6.01
Rot. Bonds

About methane;propane;toluene;1,1,1-trifluoropropane

methane;propane;toluene;1,1,1-trifluoropropane (PubChem CID 157453698) has the molecular formula C14H25F3 and a molecular weight of 250.35 g/mol. Its IUPAC name is methane;propane;toluene;1,1,1-trifluoropropane.

Molecular Properties

Compound Namemethane;propane;toluene;1,1,1-trifluoropropane
PubChem CID157453698
Molecular FormulaC14H25F3
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Namemethane;propane;toluene;1,1,1-trifluoropropane
SMILESC.CCC.CCC(F)(F)F.Cc1ccccc1
InChIInChI=1S/C7H8.C3H5F3.C3H8.CH4/c1-7-5-3-2-4-6-7;1-2-3(4,5)6;1-3-2;/h2-6H,1H3;2H2,1H3;3H2,1-2H3;1H4
InChIKeyBTCHCXDLCVWATM-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.35
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methane;propane;toluene;1,1,1-trifluoropropane?
The IUPAC name of methane;propane;toluene;1,1,1-trifluoropropane (CID 157453698) is methane;propane;toluene;1,1,1-trifluoropropane.
What is the SMILES notation for methane;propane;toluene;1,1,1-trifluoropropane?
The canonical SMILES for methane;propane;toluene;1,1,1-trifluoropropane is C.CCC.CCC(F)(F)F.Cc1ccccc1.
What is the InChIKey of methane;propane;toluene;1,1,1-trifluoropropane?
The InChIKey is BTCHCXDLCVWATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H5F3.C3H8.CH4/c1-7-5-3-2-4-6-7;1-2-3(4,5)6;1-3-2;/h2-6H,1H3;2H2,1H3;3H2,1-2H3;1H4.
What are the key properties of methane;propane;toluene;1,1,1-trifluoropropane?
methane;propane;toluene;1,1,1-trifluoropropane has a molecular weight of 250.35 g/mol, XLogP of 6.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propane;toluene;1,1,1-trifluoropropane is sourced from PubChem (CID 157453698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).