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

C9H16F3NO — CID 105464838

IUPAC[1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESCC(C)N1CCC(CO)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(2)13-4-3-8(5-13,6-14)9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyRFJRFOUXVPOLQJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds2

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

[1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 105464838) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID105464838
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESCC(C)N1CCC(CO)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(2)13-4-3-8(5-13,6-14)9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyRFJRFOUXVPOLQJ-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol (CID 105464838) is [1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol is CC(C)N1CCC(CO)(C(F)(F)F)C1.
What is the InChIKey of [1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is RFJRFOUXVPOLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2)13-4-3-8(5-13,6-14)9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of [1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
[1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol has a molecular weight of 211.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 105464838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).