(3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol

C13H16FNO — CID 175323145

IUPAC(3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol
SMILESCC1(C)C=CN(C(O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO/c1-13(2)7-8-15(9-13)12(16)10-3-5-11(14)6-4-10/h3-8,12,16H,9H2,1-2H3
InChIKeyUTFWQMSRIBGLGZ-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.67
Rot. Bonds2

About (3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol

(3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol (PubChem CID 175323145) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol
PubChem CID175323145
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol
SMILESCC1(C)C=CN(C(O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H16FNO/c1-13(2)7-8-15(9-13)12(16)10-3-5-11(14)6-4-10/h3-8,12,16H,9H2,1-2H3
InChIKeyUTFWQMSRIBGLGZ-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol?
The IUPAC name of (3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol (CID 175323145) is (3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol?
The canonical SMILES for (3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol is CC1(C)C=CN(C(O)c2ccc(F)cc2)C1.
What is the InChIKey of (3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol?
The InChIKey is UTFWQMSRIBGLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-13(2)7-8-15(9-13)12(16)10-3-5-11(14)6-4-10/h3-8,12,16H,9H2,1-2H3.
What are the key properties of (3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol?
(3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol has a molecular weight of 221.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2H-pyrrol-1-yl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 175323145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).