2-fluoro-4-phenylbutan-1-ol

C10H13FO — CID 15936950

IUPAC2-fluoro-4-phenylbutan-1-ol
SMILESOCC(F)CCc1ccccc1
InChIInChI=1S/C10H13FO/c11-10(8-12)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyRFXOSPOMDNVBKF-UHFFFAOYSA-N
MW168.21 g/mol
LogP1.95
Rot. Bonds4

About 2-fluoro-4-phenylbutan-1-ol

2-fluoro-4-phenylbutan-1-ol (PubChem CID 15936950) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-fluoro-4-phenylbutan-1-ol.

Molecular Properties

Compound Name2-fluoro-4-phenylbutan-1-ol
PubChem CID15936950
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name2-fluoro-4-phenylbutan-1-ol
SMILESOCC(F)CCc1ccccc1
InChIInChI=1S/C10H13FO/c11-10(8-12)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyRFXOSPOMDNVBKF-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-phenylbutan-1-ol?
The IUPAC name of 2-fluoro-4-phenylbutan-1-ol (CID 15936950) is 2-fluoro-4-phenylbutan-1-ol.
What is the SMILES notation for 2-fluoro-4-phenylbutan-1-ol?
The canonical SMILES for 2-fluoro-4-phenylbutan-1-ol is OCC(F)CCc1ccccc1.
What is the InChIKey of 2-fluoro-4-phenylbutan-1-ol?
The InChIKey is RFXOSPOMDNVBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c11-10(8-12)7-6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2.
What are the key properties of 2-fluoro-4-phenylbutan-1-ol?
2-fluoro-4-phenylbutan-1-ol has a molecular weight of 168.21 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-phenylbutan-1-ol is sourced from PubChem (CID 15936950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).