ethane;fluoromethylcyclohexane;2-methylpent-1-ene

C15H31F — CID 143673855

IUPACethane;fluoromethylcyclohexane;2-methylpent-1-ene
SMILESC=C(C)CCC.CC.FCC1CCCCC1
InChIInChI=1S/C7H13F.C6H12.C2H6/c8-6-7-4-2-1-3-5-7;1-4-5-6(2)3;1-2/h7H,1-6H2;2,4-5H2,1,3H3;1-2H3
InChIKeyYMQCDJVGIOVAQD-UHFFFAOYSA-N
MW230.41 g/mol
LogP5.93
Rot. Bonds3

About ethane;fluoromethylcyclohexane;2-methylpent-1-ene

ethane;fluoromethylcyclohexane;2-methylpent-1-ene (PubChem CID 143673855) has the molecular formula C15H31F and a molecular weight of 230.41 g/mol. Its IUPAC name is ethane;fluoromethylcyclohexane;2-methylpent-1-ene.

Molecular Properties

Compound Nameethane;fluoromethylcyclohexane;2-methylpent-1-ene
PubChem CID143673855
Molecular FormulaC15H31F
Molecular Weight230.41 g/mol
Exact Mass230.24
IUPAC Nameethane;fluoromethylcyclohexane;2-methylpent-1-ene
SMILESC=C(C)CCC.CC.FCC1CCCCC1
InChIInChI=1S/C7H13F.C6H12.C2H6/c8-6-7-4-2-1-3-5-7;1-4-5-6(2)3;1-2/h7H,1-6H2;2,4-5H2,1,3H3;1-2H3
InChIKeyYMQCDJVGIOVAQD-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.41
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;fluoromethylcyclohexane
CID 143258726
methane;hexakis(2-methylpent-1-ene)
CID 175346690
sodium;hydride;2-methylpent-1-ene
CID 174251970
1-cyclohexyl-5-methylhex-5-en-2-one
CID 58107373
cyclopentene;2-methylpent-1-ene
CID 158486939
1-cyclohexyl-6-methylhept-6-en-3-ol
CID 115834468
5-methylhexa-1,5-dien-2-ylcyclohexane
CID 123720137
2,2-dimethylpropane;ethane;ethylcyclopentane;2-methylprop-1-ene
CID 143356436
1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine
CID 105039575
N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine
CID 114615888
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
1-cyclohexyl-4-methylpent-4-en-2-ol
CID 115816975

Frequently Asked Questions

What is the IUPAC name of ethane;fluoromethylcyclohexane;2-methylpent-1-ene?
The IUPAC name of ethane;fluoromethylcyclohexane;2-methylpent-1-ene (CID 143673855) is ethane;fluoromethylcyclohexane;2-methylpent-1-ene.
What is the SMILES notation for ethane;fluoromethylcyclohexane;2-methylpent-1-ene?
The canonical SMILES for ethane;fluoromethylcyclohexane;2-methylpent-1-ene is C=C(C)CCC.CC.FCC1CCCCC1.
What is the InChIKey of ethane;fluoromethylcyclohexane;2-methylpent-1-ene?
The InChIKey is YMQCDJVGIOVAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F.C6H12.C2H6/c8-6-7-4-2-1-3-5-7;1-4-5-6(2)3;1-2/h7H,1-6H2;2,4-5H2,1,3H3;1-2H3.
What are the key properties of ethane;fluoromethylcyclohexane;2-methylpent-1-ene?
ethane;fluoromethylcyclohexane;2-methylpent-1-ene has a molecular weight of 230.41 g/mol, XLogP of 5.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoromethylcyclohexane;2-methylpent-1-ene is sourced from PubChem (CID 143673855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).