pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid

C8H13F3N2O2 — CID 67329785

IUPACpyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid
SMILESO=C(O)N(CCC(F)(F)F)C1CCNC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)2-4-13(7(14)15)6-1-3-12-5-6/h6,12H,1-5H2,(H,14,15)
InChIKeyFXAKMPJTNDVZHV-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.28
Rot. Bonds3

About pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid

pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid (PubChem CID 67329785) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid.

Molecular Properties

Compound Namepyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid
PubChem CID67329785
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Namepyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid
SMILESO=C(O)N(CCC(F)(F)F)C1CCNC1
InChIInChI=1S/C8H13F3N2O2/c9-8(10,11)2-4-13(7(14)15)6-1-3-12-5-6/h6,12H,1-5H2,(H,14,15)
InChIKeyFXAKMPJTNDVZHV-UHFFFAOYSA-N
XLogP1.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2,2,2-Trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 18928302
tert-Butyl((3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl)carbamic acid
CID 45092303
tert-Butyl((3R,4S)-4-(fluoromethyl)pyrrolidin-3-yl)carbamic acid
CID 45092306
(2S)-2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-1-carboxylic acid
CID 53832261
(2S,4R)-4-(tert-butylamino)-2-(difluoromethyl)pyrrolidine-1-carboxylic acid
CID 66670422
[(3S)-pyrrolidin-3-yl]-(1,1,1-trifluoropropan-2-yl)carbamic acid
CID 66697904
[(3S)-pyrrolidin-3-yl]-[(2S)-1,1,1-trifluoropropan-2-yl]carbamic acid
CID 66709217
[(3S)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]carbamic acid
CID 66709218
(S)-N,N-Dimethylpyrrolidin-3-amine 2,2,2-trifluoroacetate
CID 67585128
(3R)-3-dimethylaminopyrrolidine trifluoroacetate
CID 67612276
3-Amino-4-(fluoromethyl)pyrrolidine-1-carboxylic acid
CID 68291109
[(3S)-1-(trifluoromethyl)pyrrolidin-3-yl]carbamic acid
CID 68799875

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid?
The IUPAC name of pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid (CID 67329785) is pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid.
What is the SMILES notation for pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid?
The canonical SMILES for pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid is O=C(O)N(CCC(F)(F)F)C1CCNC1.
What is the InChIKey of pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid?
The InChIKey is FXAKMPJTNDVZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c9-8(10,11)2-4-13(7(14)15)6-1-3-12-5-6/h6,12H,1-5H2,(H,14,15).
What are the key properties of pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid?
pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid has a molecular weight of 226.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl(3,3,3-trifluoropropyl)carbamic acid is sourced from PubChem (CID 67329785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).