1-(3,3,3-trifluoropropyl)azetidin-3-amine

C6H11F3N2 — CID 64565127

IUPAC1-(3,3,3-trifluoropropyl)azetidin-3-amine
SMILESNC1CN(CCC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c7-6(8,9)1-2-11-3-5(10)4-11/h5H,1-4,10H2
InChIKeySLAOJCJLHUAWQS-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.58
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)azetidin-3-amine

1-(3,3,3-trifluoropropyl)azetidin-3-amine (PubChem CID 64565127) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)azetidin-3-amine
PubChem CID64565127
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name1-(3,3,3-trifluoropropyl)azetidin-3-amine
SMILESNC1CN(CCC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c7-6(8,9)1-2-11-3-5(10)4-11/h5H,1-4,10H2
InChIKeySLAOJCJLHUAWQS-UHFFFAOYSA-N
XLogP0.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethylazetidin-3-amine
CID 45116605
1-(3-Fluoropropyl)azetidin-3-amine
CID 81113645
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 61349567
1-(2,2-Difluoroethyl)azetidin-3-amine
CID 63761125
2-(Azetidin-1-yl)propan-1-amine
CID 84020529
1-(2,2,3,3-Tetrafluoropropyl)azetidin-3-amine
CID 130526684
1-Isopropylazetidin-3-amine
CID 15636936
3-(3,3-Difluoroazetidin-1-yl)propan-1-amine
CID 58413012
1-(2-fluoroethyl)-N-methylazetidin-3-amine
CID 59303554
1-(Azetidin-3-yl)-3,3-difluoropyrrolidine
CID 59605385
3,3-Difluoro-1,3'-biazetidine
CID 59605425
N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 61348373

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)azetidin-3-amine?
The IUPAC name of 1-(3,3,3-trifluoropropyl)azetidin-3-amine (CID 64565127) is 1-(3,3,3-trifluoropropyl)azetidin-3-amine.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)azetidin-3-amine?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)azetidin-3-amine is NC1CN(CCC(F)(F)F)C1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)azetidin-3-amine?
The InChIKey is SLAOJCJLHUAWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c7-6(8,9)1-2-11-3-5(10)4-11/h5H,1-4,10H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)azetidin-3-amine?
1-(3,3,3-trifluoropropyl)azetidin-3-amine has a molecular weight of 168.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)azetidin-3-amine is sourced from PubChem (CID 64565127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).