1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane

C15H27F — CID 166547722

IUPAC1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane
SMILESCC(C)C1(CCCC(C)C2(CF)CC2)CC1
InChIInChI=1S/C15H27F/c1-12(2)14(7-8-14)6-4-5-13(3)15(11-16)9-10-15/h12-13H,4-11H2,1-3H3
InChIKeyCIMDQFFAXMRUAG-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.98
Rot. Bonds7

About 1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane

1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane (PubChem CID 166547722) has the molecular formula C15H27F and a molecular weight of 226.38 g/mol. Its IUPAC name is 1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane.

Molecular Properties

Compound Name1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane
PubChem CID166547722
Molecular FormulaC15H27F
Molecular Weight226.38 g/mol
Exact Mass226.21
IUPAC Name1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane
SMILESCC(C)C1(CCCC(C)C2(CF)CC2)CC1
InChIInChI=1S/C15H27F/c1-12(2)14(7-8-14)6-4-5-13(3)15(11-16)9-10-15/h12-13H,4-11H2,1-3H3
InChIKeyCIMDQFFAXMRUAG-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane?
The IUPAC name of 1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane (CID 166547722) is 1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane.
What is the SMILES notation for 1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane?
The canonical SMILES for 1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane is CC(C)C1(CCCC(C)C2(CF)CC2)CC1.
What is the InChIKey of 1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane?
The InChIKey is CIMDQFFAXMRUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F/c1-12(2)14(7-8-14)6-4-5-13(3)15(11-16)9-10-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane?
1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane has a molecular weight of 226.38 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-1-[5-(1-propan-2-ylcyclopropyl)pentan-2-yl]cyclopropane is sourced from PubChem (CID 166547722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).