ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene

C16H31F — CID 143345247

IUPACethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene
SMILESCC.CC.CCCC1=CCC(C)=CC=C1.CF
InChIInChI=1S/C11H16.2C2H6.CH3F/c1-3-5-11-7-4-6-10(2)8-9-11;3*1-2/h4,6-7,9H,3,5,8H2,1-2H3;2*1-2H3;1H3
InChIKeyBUVILQNLXJOGMS-UHFFFAOYSA-N
MW242.42 g/mol
LogP6.26
Rot. Bonds2

About ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene

ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene (PubChem CID 143345247) has the molecular formula C16H31F and a molecular weight of 242.42 g/mol. Its IUPAC name is ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene
PubChem CID143345247
Molecular FormulaC16H31F
Molecular Weight242.42 g/mol
Exact Mass242.24
IUPAC Nameethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene
SMILESCC.CC.CCCC1=CCC(C)=CC=C1.CF
InChIInChI=1S/C11H16.2C2H6.CH3F/c1-3-5-11-7-4-6-10(2)8-9-11;3*1-2/h4,6-7,9H,3,5,8H2,1-2H3;2*1-2H3;1H3
InChIKeyBUVILQNLXJOGMS-UHFFFAOYSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.42
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene
CID 145198191
ethane;2-propylcyclopenta-1,3-diene
CID 142052577
ethane;4-methylcyclohepta-1,4,6-triene-1-carbonitrile
CID 142852205
5-(dimethoxymethyl)-1-methylcyclohepta-1,3,5-triene
CID 143308938
1,6-dimethylcycloocta-1,3,6-triene
CID 123605160
5-fluoro-2-propylcyclohexa-1,3-diene
CID 123958861
4-methyl-N-[2-[4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]ethyl]oxan-4-amine
CID 155163916
N-(2-ethoxyethyl)-4-methylcyclohepta-1,4,6-trien-1-amine;yttrium
CID 142097114
tetrakis(1,3-dipropylcyclopenta-1,3-diene);zirconium;dichloride
CID 22617565
(1E,3Z)-1-methyl-3-propylcycloocta-1,3,5-triene
CID 144585615
CID 145359118
CID 145359118
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032

Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene?
The IUPAC name of ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene (CID 143345247) is ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene.
What is the SMILES notation for ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene?
The canonical SMILES for ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene is CC.CC.CCCC1=CCC(C)=CC=C1.CF.
What is the InChIKey of ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene?
The InChIKey is BUVILQNLXJOGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.2C2H6.CH3F/c1-3-5-11-7-4-6-10(2)8-9-11;3*1-2/h4,6-7,9H,3,5,8H2,1-2H3;2*1-2H3;1H3.
What are the key properties of ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene?
ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene has a molecular weight of 242.42 g/mol, XLogP of 6.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethane;1-methyl-5-propylcyclohepta-1,3,5-triene is sourced from PubChem (CID 143345247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).