3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine

C8H14F3NO — CID 164536554

IUPAC3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine
SMILESCCOC1(CC(N)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-2-13-7(3-4-7)5-6(12)8(9,10)11/h6H,2-5,12H2,1H3
InChIKeyISTPMUOJVAHGCU-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.84
Rot. Bonds4

About 3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine

3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine (PubChem CID 164536554) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine
PubChem CID164536554
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine
SMILESCCOC1(CC(N)C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c1-2-13-7(3-4-7)5-6(12)8(9,10)11/h6H,2-5,12H2,1H3
InChIKeyISTPMUOJVAHGCU-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine (CID 164536554) is 3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine is CCOC1(CC(N)C(F)(F)F)CC1.
What is the InChIKey of 3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is ISTPMUOJVAHGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-13-7(3-4-7)5-6(12)8(9,10)11/h6H,2-5,12H2,1H3.
What are the key properties of 3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine?
3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 197.20 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxycyclopropyl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 164536554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).