1-fluoro-4-methyl-3-phenylpentan-3-ol

C12H17FO — CID 156689206

IUPAC1-fluoro-4-methyl-3-phenylpentan-3-ol
SMILESCC(C)C(O)(CCF)c1ccccc1
InChIInChI=1S/C12H17FO/c1-10(2)12(14,8-9-13)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3
InChIKeyBNKIAKZMVSICQJ-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.89
Rot. Bonds4

About 1-fluoro-4-methyl-3-phenylpentan-3-ol

1-fluoro-4-methyl-3-phenylpentan-3-ol (PubChem CID 156689206) has the molecular formula C12H17FO and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-fluoro-4-methyl-3-phenylpentan-3-ol.

Molecular Properties

Compound Name1-fluoro-4-methyl-3-phenylpentan-3-ol
PubChem CID156689206
Molecular FormulaC12H17FO
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name1-fluoro-4-methyl-3-phenylpentan-3-ol
SMILESCC(C)C(O)(CCF)c1ccccc1
InChIInChI=1S/C12H17FO/c1-10(2)12(14,8-9-13)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3
InChIKeyBNKIAKZMVSICQJ-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methyl-3-phenylpentan-3-ol?
The IUPAC name of 1-fluoro-4-methyl-3-phenylpentan-3-ol (CID 156689206) is 1-fluoro-4-methyl-3-phenylpentan-3-ol.
What is the SMILES notation for 1-fluoro-4-methyl-3-phenylpentan-3-ol?
The canonical SMILES for 1-fluoro-4-methyl-3-phenylpentan-3-ol is CC(C)C(O)(CCF)c1ccccc1.
What is the InChIKey of 1-fluoro-4-methyl-3-phenylpentan-3-ol?
The InChIKey is BNKIAKZMVSICQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-10(2)12(14,8-9-13)11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of 1-fluoro-4-methyl-3-phenylpentan-3-ol?
1-fluoro-4-methyl-3-phenylpentan-3-ol has a molecular weight of 196.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methyl-3-phenylpentan-3-ol is sourced from PubChem (CID 156689206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).