7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol

C12H22F3NO — CID 113326902

IUPAC7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol
SMILESCC(C)(C(O)CCCC(F)(F)F)N1CCCC1
InChIInChI=1S/C12H22F3NO/c1-11(2,16-8-3-4-9-16)10(17)6-5-7-12(13,14)15/h10,17H,3-9H2,1-2H3
InChIKeyDQMCKRAFNGVNGO-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.95
Rot. Bonds5

About 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol

7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol (PubChem CID 113326902) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol
PubChem CID113326902
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol
SMILESCC(C)(C(O)CCCC(F)(F)F)N1CCCC1
InChIInChI=1S/C12H22F3NO/c1-11(2,16-8-3-4-9-16)10(17)6-5-7-12(13,14)15/h10,17H,3-9H2,1-2H3
InChIKeyDQMCKRAFNGVNGO-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol?
The IUPAC name of 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol (CID 113326902) is 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol.
What is the SMILES notation for 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol?
The canonical SMILES for 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol is CC(C)(C(O)CCCC(F)(F)F)N1CCCC1.
What is the InChIKey of 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol?
The InChIKey is DQMCKRAFNGVNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-11(2,16-8-3-4-9-16)10(17)6-5-7-12(13,14)15/h10,17H,3-9H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol?
7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol has a molecular weight of 253.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-ol is sourced from PubChem (CID 113326902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).