2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane

C12H21F — CID 123870150

IUPAC2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane
SMILESCC=C1C(C)C1(C)CCC(F)CC
InChIInChI=1S/C12H21F/c1-5-10(13)7-8-12(4)9(3)11(12)6-2/h6,9-10H,5,7-8H2,1-4H3
InChIKeyNYEWSHVPULKTDB-UHFFFAOYSA-N
MW184.30 g/mol
LogP4.12
Rot. Bonds4

About 2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane

2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane (PubChem CID 123870150) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane.

Molecular Properties

Compound Name2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane
PubChem CID123870150
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Name2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane
SMILESCC=C1C(C)C1(C)CCC(F)CC
InChIInChI=1S/C12H21F/c1-5-10(13)7-8-12(4)9(3)11(12)6-2/h6,9-10H,5,7-8H2,1-4H3
InChIKeyNYEWSHVPULKTDB-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 54.12
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

3-Carene
CID 26049
Elemene
CID 12309449
(+)-3-Carene
CID 443156
Cyclohexene, 4-ethenyl-4-methyl-3-(1-methylethenyl)-1-(1-methylethyl)-, (3R-trans)-
CID 89316
(-)-3-Carene
CID 442461
2-Carene, (+)-
CID 78249
alpha-Thujene
CID 17868
2-Carene
CID 79044
Casbene
CID 5280437
3,5,5,9-Tetramethyl-2,4a,5,6,7,8-hexahydro-1H-benzo(7)annulene
CID 15095
gamma-HIMACHALENE
CID 577062
beta-Himachalene
CID 11586487

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane?
The IUPAC name of 2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane (CID 123870150) is 2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane.
What is the SMILES notation for 2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane?
The canonical SMILES for 2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane is CC=C1C(C)C1(C)CCC(F)CC.
What is the InChIKey of 2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane?
The InChIKey is NYEWSHVPULKTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F/c1-5-10(13)7-8-12(4)9(3)11(12)6-2/h6,9-10H,5,7-8H2,1-4H3.
What are the key properties of 2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane?
2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane has a molecular weight of 184.30 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane is sourced from PubChem (CID 123870150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).