deuteriomethane;fluoromethane;propylbenzene

C11H19F — CID 91154303

IUPACdeuteriomethane;fluoromethane;propylbenzene
SMILESCCCc1ccccc1.CF.[2H]C
InChIInChI=1S/C9H12.CH3F.CH4/c1-2-6-9-7-4-3-5-8-9;1-2;/h3-5,7-8H,2,6H2,1H3;1H3;1H4/i;;1D
InChIKeyRTXWSKZXGNJIRQ-PRQZKWGPSA-N
MW171.28 g/mol
LogP3.86
Rot. Bonds2

About deuteriomethane;fluoromethane;propylbenzene

deuteriomethane;fluoromethane;propylbenzene (PubChem CID 91154303) has the molecular formula C11H19F and a molecular weight of 171.28 g/mol. Its IUPAC name is deuteriomethane;fluoromethane;propylbenzene.

Molecular Properties

Compound Namedeuteriomethane;fluoromethane;propylbenzene
PubChem CID91154303
Molecular FormulaC11H19F
Molecular Weight171.28 g/mol
Exact Mass171.15
IUPAC Namedeuteriomethane;fluoromethane;propylbenzene
SMILESCCCc1ccccc1.CF.[2H]C
InChIInChI=1S/C9H12.CH3F.CH4/c1-2-6-9-7-4-3-5-8-9;1-2;/h3-5,7-8H,2,6H2,1H3;1H3;1H4/i;;1D
InChIKeyRTXWSKZXGNJIRQ-PRQZKWGPSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 142060228
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CID 158382353
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CID 144852867
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CID 160913723
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CID 18469730

Frequently Asked Questions

What is the IUPAC name of deuteriomethane;fluoromethane;propylbenzene?
The IUPAC name of deuteriomethane;fluoromethane;propylbenzene (CID 91154303) is deuteriomethane;fluoromethane;propylbenzene.
What is the SMILES notation for deuteriomethane;fluoromethane;propylbenzene?
The canonical SMILES for deuteriomethane;fluoromethane;propylbenzene is CCCc1ccccc1.CF.[2H]C.
What is the InChIKey of deuteriomethane;fluoromethane;propylbenzene?
The InChIKey is RTXWSKZXGNJIRQ-PRQZKWGPSA-N. The full InChI is InChI=1S/C9H12.CH3F.CH4/c1-2-6-9-7-4-3-5-8-9;1-2;/h3-5,7-8H,2,6H2,1H3;1H3;1H4/i;;1D.
What are the key properties of deuteriomethane;fluoromethane;propylbenzene?
deuteriomethane;fluoromethane;propylbenzene has a molecular weight of 171.28 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for deuteriomethane;fluoromethane;propylbenzene is sourced from PubChem (CID 91154303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).