1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol

C16H13ClF2O — CID 103047760

IUPAC1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2cc(Cl)ccc2F)CCc2c(F)cccc21
InChIInChI=1S/C16H13ClF2O/c17-11-4-5-14(18)10(8-11)9-16(20)7-6-12-13(16)2-1-3-15(12)19/h1-5,8,20H,6-7,9H2
InChIKeyPUUBDJGQHBFLPY-UHFFFAOYSA-N
MW294.73 g/mol
LogP3.99
Rot. Bonds2

About 1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol

1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 103047760) has the molecular formula C16H13ClF2O and a molecular weight of 294.73 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID103047760
Molecular FormulaC16H13ClF2O
Molecular Weight294.73 g/mol
Exact Mass294.06
IUPAC Name1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(Cc2cc(Cl)ccc2F)CCc2c(F)cccc21
InChIInChI=1S/C16H13ClF2O/c17-11-4-5-14(18)10(8-11)9-16(20)7-6-12-13(16)2-1-3-15(12)19/h1-5,8,20H,6-7,9H2
InChIKeyPUUBDJGQHBFLPY-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]-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol (CID 103047760) is 1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol is OC1(Cc2cc(Cl)ccc2F)CCc2c(F)cccc21.
What is the InChIKey of 1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is PUUBDJGQHBFLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O/c17-11-4-5-14(18)10(8-11)9-16(20)7-6-12-13(16)2-1-3-15(12)19/h1-5,8,20H,6-7,9H2.
What are the key properties of 1-[(5-chloro-2-fluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol?
1-[(5-chloro-2-fluorophenyl)methyl]-4-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]-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 103047760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).