ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine

C10H22FN — CID 145315824

IUPACethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
SMILESCC.CC(C)N1CCC(CF)C1
InChIInChI=1S/C8H16FN.C2H6/c1-7(2)10-4-3-8(5-9)6-10;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyITPJJPXNHGDMJT-UHFFFAOYSA-N
MW175.29 g/mol
LogP2.71
Rot. Bonds2

About ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine

ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine (PubChem CID 145315824) has the molecular formula C10H22FN and a molecular weight of 175.29 g/mol. Its IUPAC name is ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
PubChem CID145315824
Molecular FormulaC10H22FN
Molecular Weight175.29 g/mol
Exact Mass175.17
IUPAC Nameethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine
SMILESCC.CC(C)N1CCC(CF)C1
InChIInChI=1S/C8H16FN.C2H6/c1-7(2)10-4-3-8(5-9)6-10;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyITPJJPXNHGDMJT-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine (CID 145315824) is ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine is CC.CC(C)N1CCC(CF)C1.
What is the InChIKey of ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is ITPJJPXNHGDMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN.C2H6/c1-7(2)10-4-3-8(5-9)6-10;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine?
ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 175.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(fluoromethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 145315824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).