ethane;4-(trifluoromethoxy)pyrrolidin-3-amine

C7H15F3N2O — CID 153402288

IUPACethane;4-(trifluoromethoxy)pyrrolidin-3-amine
SMILESCC.NC1CNCC1OC(F)(F)F
InChIInChI=1S/C5H9F3N2O.C2H6/c6-5(7,8)11-4-2-10-1-3(4)9;1-2/h3-4,10H,1-2,9H2;1-2H3
InChIKeyNRHGHSYQXVYTFR-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.85
Rot. Bonds1

About ethane;4-(trifluoromethoxy)pyrrolidin-3-amine

ethane;4-(trifluoromethoxy)pyrrolidin-3-amine (PubChem CID 153402288) has the molecular formula C7H15F3N2O and a molecular weight of 200.20 g/mol. Its IUPAC name is ethane;4-(trifluoromethoxy)pyrrolidin-3-amine.

Molecular Properties

Compound Nameethane;4-(trifluoromethoxy)pyrrolidin-3-amine
PubChem CID153402288
Molecular FormulaC7H15F3N2O
Molecular Weight200.20 g/mol
Exact Mass200.11
IUPAC Nameethane;4-(trifluoromethoxy)pyrrolidin-3-amine
SMILESCC.NC1CNCC1OC(F)(F)F
InChIInChI=1S/C5H9F3N2O.C2H6/c6-5(7,8)11-4-2-10-1-3(4)9;1-2/h3-4,10H,1-2,9H2;1-2H3
InChIKeyNRHGHSYQXVYTFR-UHFFFAOYSA-N
XLogP0.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(trifluoromethoxy)pyrrolidin-3-amine?
The IUPAC name of ethane;4-(trifluoromethoxy)pyrrolidin-3-amine (CID 153402288) is ethane;4-(trifluoromethoxy)pyrrolidin-3-amine.
What is the SMILES notation for ethane;4-(trifluoromethoxy)pyrrolidin-3-amine?
The canonical SMILES for ethane;4-(trifluoromethoxy)pyrrolidin-3-amine is CC.NC1CNCC1OC(F)(F)F.
What is the InChIKey of ethane;4-(trifluoromethoxy)pyrrolidin-3-amine?
The InChIKey is NRHGHSYQXVYTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O.C2H6/c6-5(7,8)11-4-2-10-1-3(4)9;1-2/h3-4,10H,1-2,9H2;1-2H3.
What are the key properties of ethane;4-(trifluoromethoxy)pyrrolidin-3-amine?
ethane;4-(trifluoromethoxy)pyrrolidin-3-amine has a molecular weight of 200.20 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(trifluoromethoxy)pyrrolidin-3-amine is sourced from PubChem (CID 153402288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).