[4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid

C6H9F3N2O3 — CID 137480571

IUPAC[4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CNCC1OC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)14-4-2-10-1-3(4)11-5(12)13/h3-4,10-11H,1-2H2,(H,12,13)
InChIKeyLYZAZNOZVZLFEM-UHFFFAOYSA-N
MW214.14 g/mol
LogP0.13
Rot. Bonds2

About [4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid

[4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid (PubChem CID 137480571) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is [4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid
PubChem CID137480571
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Name[4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid
SMILESO=C(O)NC1CNCC1OC(F)(F)F
InChIInChI=1S/C6H9F3N2O3/c7-6(8,9)14-4-2-10-1-3(4)11-5(12)13/h3-4,10-11H,1-2H2,(H,12,13)
InChIKeyLYZAZNOZVZLFEM-UHFFFAOYSA-N
XLogP0.13
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(3S,4R)-4-methoxypyrrolidin-3-yl]acetamide
CID 130816451
2,2,2-trifluoro-N-[(3R,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 130773345
2-fluoro-N-(4-methoxypyrrolidin-3-yl)-2-methylpropanamide;hydrochloride
CID 136575931
[(3R,4R)-4-(dimethoxymethyl)pyrrolidin-3-yl]carbamic acid
CID 90406503
(4-ethylpyrrolidin-3-yl)carbamic acid
CID 174763111
[(3R,4R)-4-(methoxymethyl)pyrrolidin-3-yl]carbamic acid
CID 137480787
2-(trifluoromethoxy)cyclohexane-1-carboxylic acid
CID 137347109
[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560075
N-(4-methoxypyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 74883319
3-[(4S)-4-methoxypyrrolidin-3-yl]-1,1-dimethylurea
CID 79154525
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
N-[(4S)-4-methoxypyrrolidin-3-yl]but-3-enamide
CID 62680070

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid?
The IUPAC name of [4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid (CID 137480571) is [4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid.
What is the SMILES notation for [4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid?
The canonical SMILES for [4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid is O=C(O)NC1CNCC1OC(F)(F)F.
What is the InChIKey of [4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid?
The InChIKey is LYZAZNOZVZLFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3/c7-6(8,9)14-4-2-10-1-3(4)11-5(12)13/h3-4,10-11H,1-2H2,(H,12,13).
What are the key properties of [4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid?
[4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid has a molecular weight of 214.14 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid is sourced from PubChem (CID 137480571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).