(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol

C11H18FNO — CID 123968379

IUPAC(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESC=C(C)C1(F)CN2CCCC2(CO)C1
InChIInChI=1S/C11H18FNO/c1-9(2)11(12)6-10(8-14)4-3-5-13(10)7-11/h14H,1,3-8H2,2H3
InChIKeyYYMSTWVKQKCNQB-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.50
Rot. Bonds2

About (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol

(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (PubChem CID 123968379) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
PubChem CID123968379
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESC=C(C)C1(F)CN2CCCC2(CO)C1
InChIInChI=1S/C11H18FNO/c1-9(2)11(12)6-10(8-14)4-3-5-13(10)7-11/h14H,1,3-8H2,2H3
InChIKeyYYMSTWVKQKCNQB-UHFFFAOYSA-N
XLogP1.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-Fluoro-2-methyltetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 137419734
(E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 162730762
(2-fluoro-6-methylene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 163686023
[(6Z,8S)-6-(fluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875895
[(8R)-6-(difluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875941
[(8S)-6-(difluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875966
(S,Z)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876019
(S,E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876022
[(6Z)-6-(fluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164922173
(2-(Difluoromethylene)-6-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 166095840
[6-(fluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 166095856
(2-(Difluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 166095926

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The IUPAC name of (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (CID 123968379) is (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.
What is the SMILES notation for (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The canonical SMILES for (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is C=C(C)C1(F)CN2CCCC2(CO)C1.
What is the InChIKey of (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The InChIKey is YYMSTWVKQKCNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-9(2)11(12)6-10(8-14)4-3-5-13(10)7-11/h14H,1,3-8H2,2H3.
What are the key properties of (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol has a molecular weight of 199.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is sourced from PubChem (CID 123968379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).