1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane

C16H29F — CID 70830665

IUPAC1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane
SMILESCCC1(C(CC2(C(C)CF)CC2)C(C)C)CC1
InChIInChI=1S/C16H29F/c1-5-15(6-7-15)14(12(2)3)10-16(8-9-16)13(4)11-17/h12-14H,5-11H2,1-4H3
InChIKeyPSMYSBVYHJVMOD-UHFFFAOYSA-N
MW240.41 g/mol
LogP5.22
Rot. Bonds7

About 1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane

1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane (PubChem CID 70830665) has the molecular formula C16H29F and a molecular weight of 240.41 g/mol. Its IUPAC name is 1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane.

Molecular Properties

Compound Name1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane
PubChem CID70830665
Molecular FormulaC16H29F
Molecular Weight240.41 g/mol
Exact Mass240.23
IUPAC Name1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane
SMILESCCC1(C(CC2(C(C)CF)CC2)C(C)C)CC1
InChIInChI=1S/C16H29F/c1-5-15(6-7-15)14(12(2)3)10-16(8-9-16)13(4)11-17/h12-14H,5-11H2,1-4H3
InChIKeyPSMYSBVYHJVMOD-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.41
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane?
The IUPAC name of 1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane (CID 70830665) is 1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane.
What is the SMILES notation for 1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane?
The canonical SMILES for 1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane is CCC1(C(CC2(C(C)CF)CC2)C(C)C)CC1.
What is the InChIKey of 1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane?
The InChIKey is PSMYSBVYHJVMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F/c1-5-15(6-7-15)14(12(2)3)10-16(8-9-16)13(4)11-17/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane?
1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane has a molecular weight of 240.41 g/mol, XLogP of 5.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[1-[1-(1-fluoropropan-2-yl)cyclopropyl]-3-methylbutan-2-yl]cyclopropane is sourced from PubChem (CID 70830665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).