1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol

C8H12F3NO — CID 62976986

IUPAC1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)F)CCN(C2CC2)C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-4-12(5-7)6-1-2-6/h6,13H,1-5H2
InChIKeyMJXZGUVKGJCBEZ-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.15
Rot. Bonds1

About 1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol

1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 62976986) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID62976986
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)F)CCN(C2CC2)C1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-4-12(5-7)6-1-2-6/h6,13H,1-5H2
InChIKeyMJXZGUVKGJCBEZ-UHFFFAOYSA-N
XLogP1.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 62976986) is 1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol is OC1(C(F)(F)F)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is MJXZGUVKGJCBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)7(13)3-4-12(5-7)6-1-2-6/h6,13H,1-5H2.
What are the key properties of 1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol?
1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 195.18 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 62976986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).