3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol

C10H12ClFO — CID 117291231

IUPAC3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol
SMILESOCCCc1ccc(CF)cc1Cl
InChIInChI=1S/C10H12ClFO/c11-10-6-8(7-12)3-4-9(10)2-1-5-13/h3-4,6,13H,1-2,5,7H2
InChIKeyAQXPWRBSOSAOQS-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.73
Rot. Bonds4

About 3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol

3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol (PubChem CID 117291231) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol
PubChem CID117291231
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol
SMILESOCCCc1ccc(CF)cc1Cl
InChIInChI=1S/C10H12ClFO/c11-10-6-8(7-12)3-4-9(10)2-1-5-13/h3-4,6,13H,1-2,5,7H2
InChIKeyAQXPWRBSOSAOQS-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol (CID 117291231) is 3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol is OCCCc1ccc(CF)cc1Cl.
What is the InChIKey of 3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol?
The InChIKey is AQXPWRBSOSAOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c11-10-6-8(7-12)3-4-9(10)2-1-5-13/h3-4,6,13H,1-2,5,7H2.
What are the key properties of 3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol?
3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol has a molecular weight of 202.66 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 117291231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).