[1-(difluoromethyl)pyrrol-3-yl]methanol

C6H7F2NO — CID 66397422

IUPAC[1-(difluoromethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(C(F)F)c1
InChIInChI=1S/C6H7F2NO/c7-6(8)9-2-1-5(3-9)4-10/h1-3,6,10H,4H2
InChIKeyQBWSJDLKZVBBJJ-UHFFFAOYSA-N
MW147.12 g/mol
LogP1.38
Rot. Bonds2

About [1-(difluoromethyl)pyrrol-3-yl]methanol

[1-(difluoromethyl)pyrrol-3-yl]methanol (PubChem CID 66397422) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is [1-(difluoromethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(difluoromethyl)pyrrol-3-yl]methanol
PubChem CID66397422
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC Name[1-(difluoromethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(C(F)F)c1
InChIInChI=1S/C6H7F2NO/c7-6(8)9-2-1-5(3-9)4-10/h1-3,6,10H,4H2
InChIKeyQBWSJDLKZVBBJJ-UHFFFAOYSA-N
XLogP1.38
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(difluoromethyl)pyrrol-3-yl]methanol (CID 66397422) is [1-(difluoromethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(difluoromethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(difluoromethyl)pyrrol-3-yl]methanol is OCc1ccn(C(F)F)c1.
What is the InChIKey of [1-(difluoromethyl)pyrrol-3-yl]methanol?
The InChIKey is QBWSJDLKZVBBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2NO/c7-6(8)9-2-1-5(3-9)4-10/h1-3,6,10H,4H2.
What are the key properties of [1-(difluoromethyl)pyrrol-3-yl]methanol?
[1-(difluoromethyl)pyrrol-3-yl]methanol has a molecular weight of 147.12 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 66397422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).