(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol

C9H18FNO — CID 90155876

IUPAC(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol
SMILESCC(C)(C)N1CCC(F)(CO)C1
InChIInChI=1S/C9H18FNO/c1-8(2,3)11-5-4-9(10,6-11)7-12/h12H,4-7H2,1-3H3
InChIKeyDFRCLOVIEFHBPB-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds1

About (1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol

(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol (PubChem CID 90155876) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is (1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol
PubChem CID90155876
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol
SMILESCC(C)(C)N1CCC(F)(CO)C1
InChIInChI=1S/C9H18FNO/c1-8(2,3)11-5-4-9(10,6-11)7-12/h12H,4-7H2,1-3H3
InChIKeyDFRCLOVIEFHBPB-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol?
The IUPAC name of (1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol (CID 90155876) is (1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol.
What is the SMILES notation for (1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol?
The canonical SMILES for (1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol is CC(C)(C)N1CCC(F)(CO)C1.
What is the InChIKey of (1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol?
The InChIKey is DFRCLOVIEFHBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2,3)11-5-4-9(10,6-11)7-12/h12H,4-7H2,1-3H3.
What are the key properties of (1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol?
(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol is sourced from PubChem (CID 90155876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).