1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane

C13H23F3 — CID 163893736

IUPAC1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane
SMILESCCCC(CCCCC1CC1C)C(F)(F)F
InChIInChI=1S/C13H23F3/c1-3-6-12(13(14,15)16)8-5-4-7-11-9-10(11)2/h10-12H,3-9H2,1-2H3
InChIKeyQDTZPBFAZVSVFR-UHFFFAOYSA-N
MW236.32 g/mol
LogP5.18
Rot. Bonds7

About 1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane

1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane (PubChem CID 163893736) has the molecular formula C13H23F3 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane.

Molecular Properties

Compound Name1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane
PubChem CID163893736
Molecular FormulaC13H23F3
Molecular Weight236.32 g/mol
Exact Mass236.18
IUPAC Name1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane
SMILESCCCC(CCCCC1CC1C)C(F)(F)F
InChIInChI=1S/C13H23F3/c1-3-6-12(13(14,15)16)8-5-4-7-11-9-10(11)2/h10-12H,3-9H2,1-2H3
InChIKeyQDTZPBFAZVSVFR-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.32
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
1-methyl-2-pentadecylcyclopropane
CID 54385825
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
1-(5-ethyl-7-methyldecyl)-2-methylcyclopropane
CID 123168355
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
1-(7,7-dimethylheptadecyl)-2-methylcyclopropane
CID 123261970
5-(trifluoromethyl)decane;yttrium(3+)
CID 20801388
ethane;1-methyl-2-propylcyclopropane
CID 144710386
1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane
CID 123890529
6-methoxy-11-(trifluoromethyl)octadecane
CID 152576164
(2R)-1,1,1-trifluoro-2-(iodomethyl)heptane
CID 89053910

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane?
The IUPAC name of 1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane (CID 163893736) is 1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane.
What is the SMILES notation for 1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane?
The canonical SMILES for 1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane is CCCC(CCCCC1CC1C)C(F)(F)F.
What is the InChIKey of 1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane?
The InChIKey is QDTZPBFAZVSVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3/c1-3-6-12(13(14,15)16)8-5-4-7-11-9-10(11)2/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane?
1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane has a molecular weight of 236.32 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[5-(trifluoromethyl)octyl]cyclopropane is sourced from PubChem (CID 163893736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).