1-(4,4,4-trifluorobutyl)cyclopropan-1-amine

C7H12F3N — CID 83905548

IUPAC1-(4,4,4-trifluorobutyl)cyclopropan-1-amine
SMILESNC1(CCCC(F)(F)F)CC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)3-1-2-6(11)4-5-6/h1-5,11H2
InChIKeyQIROAVVZKGPJBA-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.21
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)cyclopropan-1-amine

1-(4,4,4-trifluorobutyl)cyclopropan-1-amine (PubChem CID 83905548) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)cyclopropan-1-amine
PubChem CID83905548
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1-(4,4,4-trifluorobutyl)cyclopropan-1-amine
SMILESNC1(CCCC(F)(F)F)CC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)3-1-2-6(11)4-5-6/h1-5,11H2
InChIKeyQIROAVVZKGPJBA-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)cyclopropan-1-amine?
The IUPAC name of 1-(4,4,4-trifluorobutyl)cyclopropan-1-amine (CID 83905548) is 1-(4,4,4-trifluorobutyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)cyclopropan-1-amine is NC1(CCCC(F)(F)F)CC1.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)cyclopropan-1-amine?
The InChIKey is QIROAVVZKGPJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c8-7(9,10)3-1-2-6(11)4-5-6/h1-5,11H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)cyclopropan-1-amine?
1-(4,4,4-trifluorobutyl)cyclopropan-1-amine has a molecular weight of 167.17 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)cyclopropan-1-amine is sourced from PubChem (CID 83905548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).