3-(4,4,4-trifluorobutyl)pyrrolidine

C8H14F3N — CID 67060877

IUPAC3-(4,4,4-trifluorobutyl)pyrrolidine
SMILESFC(F)(F)CCCC1CCNC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)4-1-2-7-3-5-12-6-7/h7,12H,1-6H2
InChIKeyBGMZXCQPCMANEC-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.33
Rot. Bonds3

About 3-(4,4,4-trifluorobutyl)pyrrolidine

3-(4,4,4-trifluorobutyl)pyrrolidine (PubChem CID 67060877) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutyl)pyrrolidine.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutyl)pyrrolidine
PubChem CID67060877
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name3-(4,4,4-trifluorobutyl)pyrrolidine
SMILESFC(F)(F)CCCC1CCNC1
InChIInChI=1S/C8H14F3N/c9-8(10,11)4-1-2-7-3-5-12-6-7/h7,12H,1-6H2
InChIKeyBGMZXCQPCMANEC-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutyl)pyrrolidine?
The IUPAC name of 3-(4,4,4-trifluorobutyl)pyrrolidine (CID 67060877) is 3-(4,4,4-trifluorobutyl)pyrrolidine.
What is the SMILES notation for 3-(4,4,4-trifluorobutyl)pyrrolidine?
The canonical SMILES for 3-(4,4,4-trifluorobutyl)pyrrolidine is FC(F)(F)CCCC1CCNC1.
What is the InChIKey of 3-(4,4,4-trifluorobutyl)pyrrolidine?
The InChIKey is BGMZXCQPCMANEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c9-8(10,11)4-1-2-7-3-5-12-6-7/h7,12H,1-6H2.
What are the key properties of 3-(4,4,4-trifluorobutyl)pyrrolidine?
3-(4,4,4-trifluorobutyl)pyrrolidine has a molecular weight of 181.20 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutyl)pyrrolidine is sourced from PubChem (CID 67060877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).