3-(ethylamino)-4,4,4-trifluorobutan-1-ol

C6H12F3NO — CID 83816247

IUPAC3-(ethylamino)-4,4,4-trifluorobutan-1-ol
SMILESCCNC(CCO)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-10-5(3-4-11)6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyRXSOCYQYQZPZJY-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.91
Rot. Bonds4

About 3-(ethylamino)-4,4,4-trifluorobutan-1-ol

3-(ethylamino)-4,4,4-trifluorobutan-1-ol (PubChem CID 83816247) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-(ethylamino)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4,4,4-trifluorobutan-1-ol
PubChem CID83816247
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name3-(ethylamino)-4,4,4-trifluorobutan-1-ol
SMILESCCNC(CCO)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-10-5(3-4-11)6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyRXSOCYQYQZPZJY-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 3-(ethylamino)-4,4,4-trifluorobutan-1-ol (CID 83816247) is 3-(ethylamino)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 3-(ethylamino)-4,4,4-trifluorobutan-1-ol is CCNC(CCO)C(F)(F)F.
What is the InChIKey of 3-(ethylamino)-4,4,4-trifluorobutan-1-ol?
The InChIKey is RXSOCYQYQZPZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-2-10-5(3-4-11)6(7,8)9/h5,10-11H,2-4H2,1H3.
What are the key properties of 3-(ethylamino)-4,4,4-trifluorobutan-1-ol?
3-(ethylamino)-4,4,4-trifluorobutan-1-ol has a molecular weight of 171.16 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 83816247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).