1-(2-chloro-6-fluorophenyl)propan-1-ol

C9H10ClFO — CID 63894092

IUPAC1-(2-chloro-6-fluorophenyl)propan-1-ol
SMILESCCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C9H10ClFO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5,8,12H,2H2,1H3
InChIKeyDNNYTGFHRGABPE-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.92
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)propan-1-ol

1-(2-chloro-6-fluorophenyl)propan-1-ol (PubChem CID 63894092) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)propan-1-ol
PubChem CID63894092
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name1-(2-chloro-6-fluorophenyl)propan-1-ol
SMILESCCC(O)c1c(F)cccc1Cl
InChIInChI=1S/C9H10ClFO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5,8,12H,2H2,1H3
InChIKeyDNNYTGFHRGABPE-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)propan-1-ol?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)propan-1-ol (CID 63894092) is 1-(2-chloro-6-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)propan-1-ol is CCC(O)c1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)propan-1-ol?
The InChIKey is DNNYTGFHRGABPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO/c1-2-8(12)9-6(10)4-3-5-7(9)11/h3-5,8,12H,2H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)propan-1-ol?
1-(2-chloro-6-fluorophenyl)propan-1-ol has a molecular weight of 188.63 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)propan-1-ol is sourced from PubChem (CID 63894092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).