N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine

C9H16F3N — CID 66467032

IUPACN-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCNC(C1CCC1)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-2-6-13-8(9(10,11)12)7-4-3-5-7/h7-8,13H,2-6H2,1H3
InChIKeyXDQHCTWYAGSWRW-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.72
Rot. Bonds4

About N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine

N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 66467032) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine
PubChem CID66467032
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCNC(C1CCC1)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-2-6-13-8(9(10,11)12)7-4-3-5-7/h7-8,13H,2-6H2,1H3
InChIKeyXDQHCTWYAGSWRW-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine (CID 66467032) is N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine is CCCNC(C1CCC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is XDQHCTWYAGSWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-2-6-13-8(9(10,11)12)7-4-3-5-7/h7-8,13H,2-6H2,1H3.
What are the key properties of N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine?
N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 66467032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).