(2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol

C8H16F3NO — CID 7004676

IUPAC(2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol
SMILESCCN(CC)CC[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-12(4-2)6-5-7(13)8(9,10)11/h7,13H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyFHMIBRINIPRTLU-SSDOTTSWSA-N
MW199.22 g/mol
LogP1.64
Rot. Bonds5

About (2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol

(2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol (PubChem CID 7004676) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is (2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name(2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol
PubChem CID7004676
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name(2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol
SMILESCCN(CC)CC[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-12(4-2)6-5-7(13)8(9,10)11/h7,13H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyFHMIBRINIPRTLU-SSDOTTSWSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of (2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol (CID 7004676) is (2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for (2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for (2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol is CCN(CC)CC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol?
The InChIKey is FHMIBRINIPRTLU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-12(4-2)6-5-7(13)8(9,10)11/h7,13H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol?
(2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(diethylamino)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 7004676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).