2-(3-fluorophenoxy)-2-methylpropan-1-ol

C10H13FO2 — CID 82075160

IUPAC2-(3-fluorophenoxy)-2-methylpropan-1-ol
SMILESCC(C)(CO)Oc1cccc(F)c1
InChIInChI=1S/C10H13FO2/c1-10(2,7-12)13-9-5-3-4-8(11)6-9/h3-6,12H,7H2,1-2H3
InChIKeyGVYKQOZRRBNFRN-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.98
Rot. Bonds3

About 2-(3-fluorophenoxy)-2-methylpropan-1-ol

2-(3-fluorophenoxy)-2-methylpropan-1-ol (PubChem CID 82075160) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-2-methylpropan-1-ol
PubChem CID82075160
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name2-(3-fluorophenoxy)-2-methylpropan-1-ol
SMILESCC(C)(CO)Oc1cccc(F)c1
InChIInChI=1S/C10H13FO2/c1-10(2,7-12)13-9-5-3-4-8(11)6-9/h3-6,12H,7H2,1-2H3
InChIKeyGVYKQOZRRBNFRN-UHFFFAOYSA-N
XLogP1.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenoxy)-2-methylpropan-1-amine
CID 28917625
3-(3-fluorophenoxy)-3-methylbutanenitrile
CID 82075815
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
difluoro-(3-fluorophenoxy)methanol
CID 143474773
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 64804368
bicyclo[2.2.0]hexa-1(4),2,5-triene;3-(3-fluorophenoxy)-3-hydroxybutanoic acid
CID 22751507
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
4-(1-hydroxy-2-methylpropan-2-yl)oxyphenol
CID 67201302
2-(3-fluorophenyl)-2-methoxypropan-1-ol
CID 105441079
2,2-difluoro-2-(3-fluorophenoxy)acetate
CID 162451015

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-fluorophenoxy)-2-methylpropan-1-ol (CID 82075160) is 2-(3-fluorophenoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-fluorophenoxy)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-fluorophenoxy)-2-methylpropan-1-ol is CC(C)(CO)Oc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenoxy)-2-methylpropan-1-ol?
The InChIKey is GVYKQOZRRBNFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-10(2,7-12)13-9-5-3-4-8(11)6-9/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-(3-fluorophenoxy)-2-methylpropan-1-ol?
2-(3-fluorophenoxy)-2-methylpropan-1-ol has a molecular weight of 184.21 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 82075160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).