1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane

C16H25F — CID 155066600

IUPAC1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane
SMILESCC(CC1C2CC1(C(C)C)C2)C12CC(F)(C1)C2
InChIInChI=1S/C16H25F/c1-10(2)16-5-12(6-16)13(16)4-11(3)14-7-15(17,8-14)9-14/h10-13H,4-9H2,1-3H3
InChIKeySKKAHKRFYZJPKY-UHFFFAOYSA-N
MW236.37 g/mol
LogP4.59
Rot. Bonds4

About 1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane

1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane (PubChem CID 155066600) has the molecular formula C16H25F and a molecular weight of 236.37 g/mol. Its IUPAC name is 1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane
PubChem CID155066600
Molecular FormulaC16H25F
Molecular Weight236.37 g/mol
Exact Mass236.19
IUPAC Name1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane
SMILESCC(CC1C2CC1(C(C)C)C2)C12CC(F)(C1)C2
InChIInChI=1S/C16H25F/c1-10(2)16-5-12(6-16)13(16)4-11(3)14-7-15(17,8-14)9-14/h10-13H,4-9H2,1-3H3
InChIKeySKKAHKRFYZJPKY-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane?
The IUPAC name of 1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane (CID 155066600) is 1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane.
What is the SMILES notation for 1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane?
The canonical SMILES for 1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane is CC(CC1C2CC1(C(C)C)C2)C12CC(F)(C1)C2.
What is the InChIKey of 1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane?
The InChIKey is SKKAHKRFYZJPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F/c1-10(2)16-5-12(6-16)13(16)4-11(3)14-7-15(17,8-14)9-14/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane?
1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane has a molecular weight of 236.37 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[1-(1-propan-2-yl-2-bicyclo[1.1.1]pentanyl)propan-2-yl]bicyclo[1.1.1]pentane is sourced from PubChem (CID 155066600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).