[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol

C15H15ClFNO — CID 107883249

IUPAC[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
SMILESOC(c1ccn(Cc2ccc(Cl)c(F)c2)c1)C1CC1
InChIInChI=1S/C15H15ClFNO/c16-13-4-1-10(7-14(13)17)8-18-6-5-12(9-18)15(19)11-2-3-11/h1,4-7,9,11,15,19H,2-3,8H2
InChIKeyUNJVPBDHCUMNAL-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.77
Rot. Bonds4

About [1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol

[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol (PubChem CID 107883249) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is [1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol.

Molecular Properties

Compound Name[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
PubChem CID107883249
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
SMILESOC(c1ccn(Cc2ccc(Cl)c(F)c2)c1)C1CC1
InChIInChI=1S/C15H15ClFNO/c16-13-4-1-10(7-14(13)17)8-18-6-5-12(9-18)15(19)11-2-3-11/h1,4-7,9,11,15,19H,2-3,8H2
InChIKeyUNJVPBDHCUMNAL-UHFFFAOYSA-N
XLogP3.77
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol?
The IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol (CID 107883249) is [1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol.
What is the SMILES notation for [1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol?
The canonical SMILES for [1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol is OC(c1ccn(Cc2ccc(Cl)c(F)c2)c1)C1CC1.
What is the InChIKey of [1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol?
The InChIKey is UNJVPBDHCUMNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-13-4-1-10(7-14(13)17)8-18-6-5-12(9-18)15(19)11-2-3-11/h1,4-7,9,11,15,19H,2-3,8H2.
What are the key properties of [1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol?
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol has a molecular weight of 279.74 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol is sourced from PubChem (CID 107883249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).