1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine

C9H14F3N — CID 105446877

IUPAC1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine
SMILESNC1(C(C2CCC2)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)7(6-2-1-3-6)8(13)4-5-8/h6-7H,1-5,13H2
InChIKeyLQJMPBBJHMQQKR-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.46
Rot. Bonds2

About 1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine

1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine (PubChem CID 105446877) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine
PubChem CID105446877
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine
SMILESNC1(C(C2CCC2)C(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)7(6-2-1-3-6)8(13)4-5-8/h6-7H,1-5,13H2
InChIKeyLQJMPBBJHMQQKR-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine?
The IUPAC name of 1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine (CID 105446877) is 1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine is NC1(C(C2CCC2)C(F)(F)F)CC1.
What is the InChIKey of 1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine?
The InChIKey is LQJMPBBJHMQQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)7(6-2-1-3-6)8(13)4-5-8/h6-7H,1-5,13H2.
What are the key properties of 1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine?
1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine has a molecular weight of 193.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutyl-2,2,2-trifluoroethyl)cyclopropan-1-amine is sourced from PubChem (CID 105446877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).