2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol

C12H16F2O — CID 105410774

IUPAC2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O/c1-3-12(2,8-15)7-9-4-10(13)6-11(14)5-9/h4-6,15H,3,7-8H2,1-2H3
InChIKeyQSXJAKLACTZCJK-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.92
Rot. Bonds4

About 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol

2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol (PubChem CID 105410774) has the molecular formula C12H16F2O and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol
PubChem CID105410774
Molecular FormulaC12H16F2O
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2O/c1-3-12(2,8-15)7-9-4-10(13)6-11(14)5-9/h4-6,15H,3,7-8H2,1-2H3
InChIKeyQSXJAKLACTZCJK-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 105408136
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene
CID 105411138
2-(aminomethyl)-2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 106508343
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 105408247
3-(3,5-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 83808870
2-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 79709505
2-[[2-(4-fluorophenyl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81410771
2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide
CID 71091886
2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 105411070
2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
CID 66060666
1-(2-ethyl-2-methylbutyl)-3,5-bis(trifluoromethyl)benzene
CID 134492440

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol (CID 105410774) is 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol is CCC(C)(CO)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol?
The InChIKey is QSXJAKLACTZCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-3-12(2,8-15)7-9-4-10(13)6-11(14)5-9/h4-6,15H,3,7-8H2,1-2H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol?
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol has a molecular weight of 214.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 105410774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).