2-(2,2,2-trifluoroethylamino)butan-1-ol

C6H12F3NO — CID 43499784

IUPAC2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCCC(CO)NCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-5(3-11)10-4-6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyQYCBTXCQSNFWMT-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.91
Rot. Bonds4

About 2-(2,2,2-trifluoroethylamino)butan-1-ol

2-(2,2,2-trifluoroethylamino)butan-1-ol (PubChem CID 43499784) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)butan-1-ol
PubChem CID43499784
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name2-(2,2,2-trifluoroethylamino)butan-1-ol
SMILESCCC(CO)NCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-5(3-11)10-4-6(7,8)9/h5,10-11H,2-4H2,1H3
InChIKeyQYCBTXCQSNFWMT-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 2-(2,2,2-trifluoroethylamino)butan-1-ol?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)butan-1-ol (CID 43499784) is 2-(2,2,2-trifluoroethylamino)butan-1-ol.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)butan-1-ol?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)butan-1-ol is CCC(CO)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)butan-1-ol?
The InChIKey is QYCBTXCQSNFWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-2-5(3-11)10-4-6(7,8)9/h5,10-11H,2-4H2,1H3.
What are the key properties of 2-(2,2,2-trifluoroethylamino)butan-1-ol?
2-(2,2,2-trifluoroethylamino)butan-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 2-(2,2,2-trifluoroethylamino)butan-1-ol is sourced from PubChem (CID 43499784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).