ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol

C9H18F3NO — CID 177157364

IUPACethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESCC.CN1CC(CO)C(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO.C2H6/c1-11-2-5(4-12)6(3-11)7(8,9)10;1-2/h5-6,12H,2-4H2,1H3;1-2H3
InChIKeyYVEXODOVFGFUQH-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.75
Rot. Bonds1

About ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol

ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 177157364) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Nameethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID177157364
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Nameethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESCC.CN1CC(CO)C(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO.C2H6/c1-11-2-5(4-12)6(3-11)7(8,9)10;1-2/h5-6,12H,2-4H2,1H3;1-2H3
InChIKeyYVEXODOVFGFUQH-UHFFFAOYSA-N
XLogP1.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol 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 ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (CID 177157364) is ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is CC.CN1CC(CO)C(C(F)(F)F)C1.
What is the InChIKey of ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is YVEXODOVFGFUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.C2H6/c1-11-2-5(4-12)6(3-11)7(8,9)10;1-2/h5-6,12H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol has a molecular weight of 213.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 177157364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).