(4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol

C16H14FNO — CID 121226334

IUPAC(4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol
SMILESCn1cc(F)cc1C(O)c1cccc2ccccc12
InChIInChI=1S/C16H14FNO/c1-18-10-12(17)9-15(18)16(19)14-8-4-6-11-5-2-3-7-13(11)14/h2-10,16,19H,1H3
InChIKeyJIWQLAZRGHFHSG-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.40
Rot. Bonds2

About (4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol

(4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol (PubChem CID 121226334) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol
PubChem CID121226334
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol
SMILESCn1cc(F)cc1C(O)c1cccc2ccccc12
InChIInChI=1S/C16H14FNO/c1-18-10-12(17)9-15(18)16(19)14-8-4-6-11-5-2-3-7-13(11)14/h2-10,16,19H,1H3
InChIKeyJIWQLAZRGHFHSG-UHFFFAOYSA-N
XLogP3.40
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol?
The IUPAC name of (4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol (CID 121226334) is (4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol?
The canonical SMILES for (4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol is Cn1cc(F)cc1C(O)c1cccc2ccccc12.
What is the InChIKey of (4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol?
The InChIKey is JIWQLAZRGHFHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-18-10-12(17)9-15(18)16(19)14-8-4-6-11-5-2-3-7-13(11)14/h2-10,16,19H,1H3.
What are the key properties of (4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol?
(4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol has a molecular weight of 255.29 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-methylpyrrol-2-yl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 121226334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).