(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol

C5H8F3NO — CID 178200621

IUPAC(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-1-9-2-4(3)10/h3-4,9-10H,1-2H2/t3-,4+/m1/s1
InChIKeyNUESFQGOJDUJGG-DMTCNVIQSA-N
MW155.12 g/mol
LogP0.13
Rot. Bonds

About (3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol

(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 178200621) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is (3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID178200621
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C5H8F3NO/c6-5(7,8)3-1-9-2-4(3)10/h3-4,9-10H,1-2H2/t3-,4+/m1/s1
InChIKeyNUESFQGOJDUJGG-DMTCNVIQSA-N
XLogP0.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(trifluoromethyl)piperidin-3-ol
CID 82597852
pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid
CID 175175789
(3S,4S)-3-(fluoromethyl)-4-(trifluoromethyl)pyrrolidine;hydrochloride
CID 131637999
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
(1R,5S)-6-(trifluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 39872416
piperidine-3,4,5-triol;hydrochloride
CID 73223230
3-methylsulfonyl-4-(trifluoromethyl)pyrrolidine
CID 122237253
(3R,5S)-5-(trifluoromethyl)piperidin-3-ol;hydrochloride
CID 163339172
(3S,4S)-4-bromopyrrolidin-3-ol
CID 67334722
(3R,4R)-4-aminopyrrolidin-3-ol
CID 10725920
tert-butyl N-[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 155905095
4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrrolidin-3-ol
CID 63704215

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol (CID 178200621) is (3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol is O[C@H]1CNC[C@H]1C(F)(F)F.
What is the InChIKey of (3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is NUESFQGOJDUJGG-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)3-1-9-2-4(3)10/h3-4,9-10H,1-2H2/t3-,4+/m1/s1.
What are the key properties of (3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol?
(3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 155.12 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 178200621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).