(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol

C12H16FNO — CID 155134327

IUPAC(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
SMILESCC1(C)CC(C(O)c2cccc(F)c2)N1
InChIInChI=1S/C12H16FNO/c1-12(2)7-10(14-12)11(15)8-4-3-5-9(13)6-8/h3-6,10-11,14-15H,7H2,1-2H3
InChIKeyYLPFUXCNJIAORL-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.00
Rot. Bonds2

About (4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol

(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol (PubChem CID 155134327) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
PubChem CID155134327
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
SMILESCC1(C)CC(C(O)c2cccc(F)c2)N1
InChIInChI=1S/C12H16FNO/c1-12(2)7-10(14-12)11(15)8-4-3-5-9(13)6-8/h3-6,10-11,14-15H,7H2,1-2H3
InChIKeyYLPFUXCNJIAORL-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride
CID 155126943
(S)-(6,6-dimethylpiperidin-2-yl)-(3-fluorophenyl)methanol
CID 155127031
(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol
CID 155126922
(S)-(3-fluorophenyl)-[(3S)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride
CID 163219241
(S)-(4,4-dimethylazetidin-2-yl)-(5-fluoro-3-pyridinyl)methanol;dihydrochloride
CID 155127632
ethane;(3-fluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 142546484
(Z)-but-2-enedioic acid;(S)-(3-chlorophenyl)-(4,4-dimethylazetidin-2-yl)methanol
CID 155127072
(4R)-4-[(R)-(3-fluorophenyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid
CID 155127088
(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966
(S)-(3-fluorophenyl)-[(2R,5R)-5-propylpyrrolidin-2-yl]methanol
CID 138473395
ethane;(3-fluorophenyl)-pyrrolidin-2-ylmethanol;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 155698677
(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
CID 138473458

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol?
The IUPAC name of (4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol (CID 155134327) is (4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol?
The canonical SMILES for (4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol is CC1(C)CC(C(O)c2cccc(F)c2)N1.
What is the InChIKey of (4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol?
The InChIKey is YLPFUXCNJIAORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(2)7-10(14-12)11(15)8-4-3-5-9(13)6-8/h3-6,10-11,14-15H,7H2,1-2H3.
What are the key properties of (4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol?
(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol has a molecular weight of 209.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 155134327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).