1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol

C12H17FO — CID 117286468

IUPAC1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(C(C)(C)F)c1
InChIInChI=1S/C12H17FO/c1-9(14)7-10-5-4-6-11(8-10)12(2,3)13/h4-6,8-9,14H,7H2,1-3H3
InChIKeyDLVPEHHWJHGLCA-UHFFFAOYSA-N
MW196.26 g/mol
LogP2.81
Rot. Bonds3

About 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol

1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol (PubChem CID 117286468) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
PubChem CID117286468
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(C(C)(C)F)c1
InChIInChI=1S/C12H17FO/c1-9(14)7-10-5-4-6-11(8-10)12(2,3)13/h4-6,8-9,14H,7H2,1-3H3
InChIKeyDLVPEHHWJHGLCA-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 85092525
3-(3-tert-butylphenyl)-2-methylpropan-1-ol
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CID 117280458
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 84665532
2-[3-(2-methylpropyl)phenyl]butan-2-ol
CID 116542302
2,2-difluoro-2-[3-(2-methylpropyl)phenyl]ethanol
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1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117305547
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol (CID 117286468) is 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol is CC(O)Cc1cccc(C(C)(C)F)c1.
What is the InChIKey of 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
The InChIKey is DLVPEHHWJHGLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-9(14)7-10-5-4-6-11(8-10)12(2,3)13/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol has a molecular weight of 196.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 117286468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).