cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol

C10H12F3NO — CID 79097586

IUPACcyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol
SMILESOC(c1ccn(CC(F)(F)F)c1)C1CC1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)6-14-4-3-8(5-14)9(15)7-1-2-7/h3-5,7,9,15H,1-2,6H2
InChIKeyQHRWJGISOVAVCE-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.49
Rot. Bonds3

About cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol

cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol (PubChem CID 79097586) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol
PubChem CID79097586
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Namecyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol
SMILESOC(c1ccn(CC(F)(F)F)c1)C1CC1
InChIInChI=1S/C10H12F3NO/c11-10(12,13)6-14-4-3-8(5-14)9(15)7-1-2-7/h3-5,7,9,15H,1-2,6H2
InChIKeyQHRWJGISOVAVCE-UHFFFAOYSA-N
XLogP2.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol (CID 79097586) is cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol is OC(c1ccn(CC(F)(F)F)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol?
The InChIKey is QHRWJGISOVAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)6-14-4-3-8(5-14)9(15)7-1-2-7/h3-5,7,9,15H,1-2,6H2.
What are the key properties of cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol?
cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol has a molecular weight of 219.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 79097586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).