4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine

C6H11F3N2O — CID 15023849

IUPAC4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
SMILESNC1CNCC1OCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)3-12-5-2-11-1-4(5)10/h4-5,11H,1-3,10H2
InChIKeyMQMGDQFAYQMSAJ-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.14
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine

4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine (PubChem CID 15023849) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
PubChem CID15023849
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
SMILESNC1CNCC1OCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)3-12-5-2-11-1-4(5)10/h4-5,11H,1-3,10H2
InChIKeyMQMGDQFAYQMSAJ-UHFFFAOYSA-N
XLogP-0.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(difluoromethoxy)pyrrolidine
CID 97300413
(3S)-3-(difluoromethoxy)pyrrolidine
CID 97300414
(3R)-3-(2,2-difluoroethoxy)pyrrolidine hydrochloride
CID 167737539
3-(Difluoromethoxy)pyrrolidine
CID 55300576
(3s,4s)-4-Methoxy-n-methylpyrrolidin-3-amine
CID 5232365
cis-4-Methoxypyrrolidin-3-amine
CID 14457269
3-Amino-4-(2,2,2-trifluoroethoxy)pyrrolidine dihydrochloride
CID 18985345
3-(2,2,2-Trifluoroethoxy)pyrrolidine
CID 62329448
3-(Trifluoromethoxy)pyrrolidine
CID 66702672
3-(2,2,2-Trifluoroethoxy)pyrrolidine hydrochloride
CID 66802911
(R)-3-(2,2,2-Trifluoroethoxy)pyrrolidine
CID 66803179
(R)-3-(trifluoromethoxy)pyrrolidine
CID 75530504

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine (CID 15023849) is 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine is NC1CNCC1OCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
The InChIKey is MQMGDQFAYQMSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c7-6(8,9)3-12-5-2-11-1-4(5)10/h4-5,11H,1-3,10H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine?
4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine has a molecular weight of 184.16 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine is sourced from PubChem (CID 15023849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).