N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine

C7H11F3N2 — CID 106209934

IUPACN-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine
SMILESFC(F)(F)C1(NC2CNC2)CC1
InChIInChI=1S/C7H11F3N2/c8-7(9,10)6(1-2-6)12-5-3-11-4-5/h5,11-12H,1-4H2
InChIKeySXXWTPWUCUQVPC-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.64
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine

N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine (PubChem CID 106209934) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine
PubChem CID106209934
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine
SMILESFC(F)(F)C1(NC2CNC2)CC1
InChIInChI=1S/C7H11F3N2/c8-7(9,10)6(1-2-6)12-5-3-11-4-5/h5,11-12H,1-4H2
InChIKeySXXWTPWUCUQVPC-UHFFFAOYSA-N
XLogP0.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine (CID 106209934) is N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine is FC(F)(F)C1(NC2CNC2)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine?
The InChIKey is SXXWTPWUCUQVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c8-7(9,10)6(1-2-6)12-5-3-11-4-5/h5,11-12H,1-4H2.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine?
N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine has a molecular weight of 180.17 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]azetidin-3-amine is sourced from PubChem (CID 106209934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).