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

C10H18FNO — CID 155487742

IUPAC(2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESCC1(C)CN2CC(F)CC2(CO)C1
InChIInChI=1S/C10H18FNO/c1-9(2)5-10(7-13)3-8(11)4-12(10)6-9/h8,13H,3-7H2,1-2H3
InChIKeyAVLATRFERBWXFS-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.19
Rot. Bonds1

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

(2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (PubChem CID 155487742) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
PubChem CID155487742
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
SMILESCC1(C)CN2CC(F)CC2(CO)C1
InChIInChI=1S/C10H18FNO/c1-9(2)5-10(7-13)3-8(11)4-12(10)6-9/h8,13H,3-7H2,1-2H3
InChIKeyAVLATRFERBWXFS-UHFFFAOYSA-N
XLogP1.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,8R)-2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 174267695
[(2R,6S,8R)-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]-8-yl]methanol
CID 171397520
benzene;[(2S,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;fluoromethane
CID 177213305
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109098
ethane;[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol;2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethanol
CID 170771438
8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 165123955
2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
CID 170956574
(2R)-2-fluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
CID 177327451
(2R,6R)-2,6-difluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 176776231
benzene;ethane;(8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;fluoromethane
CID 177213011
dideuterio-[(2S,8R)-5,5-dideuterio-2-fluoro-2,3,6,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 168864414
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The IUPAC name of (2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol (CID 155487742) is (2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol.
What is the SMILES notation for (2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The canonical SMILES for (2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is CC1(C)CN2CC(F)CC2(CO)C1.
What is the InChIKey of (2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
The InChIKey is AVLATRFERBWXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-9(2)5-10(7-13)3-8(11)4-12(10)6-9/h8,13H,3-7H2,1-2H3.
What are the key properties of (2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol?
(2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol has a molecular weight of 187.26 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 (2-fluoro-6,6-dimethyl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol is sourced from PubChem (CID 155487742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).