1-cyclopropyl-4,4,4-trifluorobutan-1-amine

C7H12F3N — CID 64565355

IUPAC1-cyclopropyl-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1CC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)4-3-6(11)5-1-2-5/h5-6H,1-4,11H2
InChIKeyCTGBWBZPPQDTNH-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.07
Rot. Bonds3

About 1-cyclopropyl-4,4,4-trifluorobutan-1-amine

1-cyclopropyl-4,4,4-trifluorobutan-1-amine (PubChem CID 64565355) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-cyclopropyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-4,4,4-trifluorobutan-1-amine
PubChem CID64565355
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1-cyclopropyl-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)C1CC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)4-3-6(11)5-1-2-5/h5-6H,1-4,11H2
InChIKeyCTGBWBZPPQDTNH-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-cyclopropyl-4,4,4-trifluorobutan-1-amine (CID 64565355) is 1-cyclopropyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-cyclopropyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-cyclopropyl-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)C1CC1.
What is the InChIKey of 1-cyclopropyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is CTGBWBZPPQDTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c8-7(9,10)4-3-6(11)5-1-2-5/h5-6H,1-4,11H2.
What are the key properties of 1-cyclopropyl-4,4,4-trifluorobutan-1-amine?
1-cyclopropyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 167.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 64565355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).