(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride

C12H17ClFNO — CID 155126943

IUPAC(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride
SMILESCC1(C)CC([C@H](O)c2cccc(F)c2)N1.Cl
InChIInChI=1S/C12H16FNO.ClH/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;1H/t10?,11-;/m1./s1
InChIKeyKUZRFRMXRVKNJO-PSDUUTOMSA-N
MW245.72 g/mol
LogP2.42
Rot. Bonds2

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

(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride (PubChem CID 155126943) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is (R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride.

Molecular Properties

Compound Name(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride
PubChem CID155126943
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride
SMILESCC1(C)CC([C@H](O)c2cccc(F)c2)N1.Cl
InChIInChI=1S/C12H16FNO.ClH/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;1H/t10?,11-;/m1./s1
InChIKeyKUZRFRMXRVKNJO-PSDUUTOMSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol
CID 155134327
(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
(R)-(3-fluorophenyl)-[(2S,5R)-5-propylpyrrolidin-2-yl]methanol;hydrochloride
CID 138473458
(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

Frequently Asked Questions

What is the IUPAC name of (R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride?
The IUPAC name of (R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride (CID 155126943) is (R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride.
What is the SMILES notation for (R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride?
The canonical SMILES for (R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride is CC1(C)CC([C@H](O)c2cccc(F)c2)N1.Cl.
What is the InChIKey of (R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride?
The InChIKey is KUZRFRMXRVKNJO-PSDUUTOMSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/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;1H/t10?,11-;/m1./s1.
What are the key properties of (R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride?
(R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4,4-dimethylazetidin-2-yl)-(3-fluorophenyl)methanol;hydrochloride is sourced from PubChem (CID 155126943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).