4-(diethylamino)-1,1,1-trifluoropentan-3-ol

C9H18F3NO — CID 169074073

IUPAC4-(diethylamino)-1,1,1-trifluoropentan-3-ol
SMILESCCN(CC)C(C)C(O)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-4-13(5-2)7(3)8(14)6-9(10,11)12/h7-8,14H,4-6H2,1-3H3
InChIKeySQIPAROWSRWNAM-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.03
Rot. Bonds5

About 4-(diethylamino)-1,1,1-trifluoropentan-3-ol

4-(diethylamino)-1,1,1-trifluoropentan-3-ol (PubChem CID 169074073) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(diethylamino)-1,1,1-trifluoropentan-3-ol.

Molecular Properties

Compound Name4-(diethylamino)-1,1,1-trifluoropentan-3-ol
PubChem CID169074073
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name4-(diethylamino)-1,1,1-trifluoropentan-3-ol
SMILESCCN(CC)C(C)C(O)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-4-13(5-2)7(3)8(14)6-9(10,11)12/h7-8,14H,4-6H2,1-3H3
InChIKeySQIPAROWSRWNAM-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(diethylamino)-1,1,1-trifluoropentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1,1,1-trifluoropentan-3-ol?
The IUPAC name of 4-(diethylamino)-1,1,1-trifluoropentan-3-ol (CID 169074073) is 4-(diethylamino)-1,1,1-trifluoropentan-3-ol.
What is the SMILES notation for 4-(diethylamino)-1,1,1-trifluoropentan-3-ol?
The canonical SMILES for 4-(diethylamino)-1,1,1-trifluoropentan-3-ol is CCN(CC)C(C)C(O)CC(F)(F)F.
What is the InChIKey of 4-(diethylamino)-1,1,1-trifluoropentan-3-ol?
The InChIKey is SQIPAROWSRWNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-4-13(5-2)7(3)8(14)6-9(10,11)12/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 4-(diethylamino)-1,1,1-trifluoropentan-3-ol?
4-(diethylamino)-1,1,1-trifluoropentan-3-ol has a molecular weight of 213.24 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1,1,1-trifluoropentan-3-ol is sourced from PubChem (CID 169074073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).