[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol

C14H18F3NO — CID 102788959

IUPAC[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2ccccc2C(F)(F)F)C1CO
InChIInChI=1S/C14H18F3NO/c1-10-6-7-18(13(10)9-19)8-11-4-2-3-5-12(11)14(15,16)17/h2-5,10,13,19H,6-9H2,1H3
InChIKeyFFNBBSWUQQTCIF-UHFFFAOYSA-N
MW273.30 g/mol
LogP2.91
Rot. Bonds3

About [3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol

[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 102788959) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is [3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID102788959
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2ccccc2C(F)(F)F)C1CO
InChIInChI=1S/C14H18F3NO/c1-10-6-7-18(13(10)9-19)8-11-4-2-3-5-12(11)14(15,16)17/h2-5,10,13,19H,6-9H2,1H3
InChIKeyFFNBBSWUQQTCIF-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol (CID 102788959) is [3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol is CC1CCN(Cc2ccccc2C(F)(F)F)C1CO.
What is the InChIKey of [3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is FFNBBSWUQQTCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10-6-7-18(13(10)9-19)8-11-4-2-3-5-12(11)14(15,16)17/h2-5,10,13,19H,6-9H2,1H3.
What are the key properties of [3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 273.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).