[3-(trifluoromethyl)pyrrolidin-3-yl]methanol

C6H10F3NO — CID 53414539

IUPAC[3-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESOCC1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(4-11)1-2-10-3-5/h10-11H,1-4H2
InChIKeyPEQFBLZKNOHWSY-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.52
Rot. Bonds1

About [3-(trifluoromethyl)pyrrolidin-3-yl]methanol

[3-(trifluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 53414539) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is [3-(trifluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID53414539
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name[3-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESOCC1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5(4-11)1-2-10-3-5/h10-11H,1-4H2
InChIKeyPEQFBLZKNOHWSY-UHFFFAOYSA-N
XLogP0.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 7446913
CID 7446913
CID 13400657
CID 13400657
CID 22359935
CID 22359935
CID 53414538
CID 53414538
CID 66653455
CID 66653455
CID 70207388
CID 70207388
CID 112756484
CID 112756484
CID 7446911
CID 7446911
CID 129494946
CID 129494946
CID 22911440
CID 22911440
CID 22911441
CID 22911441
CID 53817071
CID 53817071

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-(trifluoromethyl)pyrrolidin-3-yl]methanol (CID 53414539) is [3-(trifluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(trifluoromethyl)pyrrolidin-3-yl]methanol is OCC1(C(F)(F)F)CCNC1.
What is the InChIKey of [3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is PEQFBLZKNOHWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5(4-11)1-2-10-3-5/h10-11H,1-4H2.
What are the key properties of [3-(trifluoromethyl)pyrrolidin-3-yl]methanol?
[3-(trifluoromethyl)pyrrolidin-3-yl]methanol has a molecular weight of 169.15 g/mol, XLogP of 0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 53414539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).