1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol

C16H13ClF2O — CID 103047799

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2cc(Cl)ccc2F)CCc2cc(F)ccc21
InChIInChI=1S/C16H13ClF2O/c17-12-1-4-15(19)11(7-12)9-16(20)6-5-10-8-13(18)2-3-14(10)16/h1-4,7-8,20H,5-6,9H2
InChIKeyNZLQTAFWFFHSFQ-UHFFFAOYSA-N
MW294.73 g/mol
LogP3.99
Rot. Bonds2

About 1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol

1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol (PubChem CID 103047799) has the molecular formula C16H13ClF2O and a molecular weight of 294.73 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol
PubChem CID103047799
Molecular FormulaC16H13ClF2O
Molecular Weight294.73 g/mol
Exact Mass294.06
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2cc(Cl)ccc2F)CCc2cc(F)ccc21
InChIInChI=1S/C16H13ClF2O/c17-12-1-4-15(19)11(7-12)9-16(20)6-5-10-8-13(18)2-3-14(10)16/h1-4,7-8,20H,5-6,9H2
InChIKeyNZLQTAFWFFHSFQ-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol (CID 103047799) is 1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol is OC1(Cc2cc(Cl)ccc2F)CCc2cc(F)ccc21.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is NZLQTAFWFFHSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O/c17-12-1-4-15(19)11(7-12)9-16(20)6-5-10-8-13(18)2-3-14(10)16/h1-4,7-8,20H,5-6,9H2.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol?
1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 294.73 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluorophenyl)methyl]-5-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 103047799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).