[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol

C10H18F3NO — CID 102788450

IUPAC[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCCC(F)(F)F)C1CO
InChIInChI=1S/C10H18F3NO/c1-8-3-6-14(9(8)7-15)5-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyMBLNBNJPUVXQOT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.03
Rot. Bonds4

About [3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol

[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol (PubChem CID 102788450) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol
PubChem CID102788450
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCCC(F)(F)F)C1CO
InChIInChI=1S/C10H18F3NO/c1-8-3-6-14(9(8)7-15)5-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyMBLNBNJPUVXQOT-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol (CID 102788450) is [3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol is CC1CCN(CCCC(F)(F)F)C1CO.
What is the InChIKey of [3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
The InChIKey is MBLNBNJPUVXQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8-3-6-14(9(8)7-15)5-2-4-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of [3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol has a molecular weight of 225.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).