(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol

C12H11F2NO — CID 97293052

IUPAC(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol
SMILESCn1cccc1[C@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2NO/c1-15-6-2-3-11(15)12(16)8-4-5-9(13)10(14)7-8/h2-7,12,16H,1H3/t12-/m1/s1
InChIKeyMPKKAVHGYRWYAU-GFCCVEGCSA-N
MW223.22 g/mol
LogP2.38
Rot. Bonds2

About (R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol

(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol (PubChem CID 97293052) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is (R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol.

Molecular Properties

Compound Name(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol
PubChem CID97293052
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol
SMILESCn1cccc1[C@H](O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H11F2NO/c1-15-6-2-3-11(15)12(16)8-4-5-9(13)10(14)7-8/h2-7,12,16H,1H3/t12-/m1/s1
InChIKeyMPKKAVHGYRWYAU-GFCCVEGCSA-N
XLogP2.38
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3,5-dimethylphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293069
(R)-(3-methoxyphenyl)-(1-methylpyrrol-2-yl)methanol
CID 97293101
(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66129636
(3,4-difluorophenyl)-(3-methylphenyl)methanol
CID 2758296
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
(1,3-diethylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
CID 105096371
(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684827
(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477927
(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298
(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314221
3-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)propan-1-ol
CID 102106355
1-(3,4-difluorophenyl)-3-methylbut-2-en-1-ol
CID 79189575

Frequently Asked Questions

What is the IUPAC name of (R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol?
The IUPAC name of (R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol (CID 97293052) is (R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol.
What is the SMILES notation for (R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol?
The canonical SMILES for (R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol is Cn1cccc1[C@H](O)c1ccc(F)c(F)c1.
What is the InChIKey of (R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol?
The InChIKey is MPKKAVHGYRWYAU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H11F2NO/c1-15-6-2-3-11(15)12(16)8-4-5-9(13)10(14)7-8/h2-7,12,16H,1H3/t12-/m1/s1.
What are the key properties of (R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol?
(R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol has a molecular weight of 223.22 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,4-difluorophenyl)-(1-methylpyrrol-2-yl)methanol is sourced from PubChem (CID 97293052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).