4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol

C8H16F2O — CID 170599383

IUPAC4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol
SMILESCC(C)C(C)(CO)CC(F)F
InChIInChI=1S/C8H16F2O/c1-6(2)8(3,5-11)4-7(9)10/h6-7,11H,4-5H2,1-3H3
InChIKeyUECDHIZYVCGLJS-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.30
Rot. Bonds4

About 4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol

4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol (PubChem CID 170599383) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol
PubChem CID170599383
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol
SMILESCC(C)C(C)(CO)CC(F)F
InChIInChI=1S/C8H16F2O/c1-6(2)8(3,5-11)4-7(9)10/h6-7,11H,4-5H2,1-3H3
InChIKeyUECDHIZYVCGLJS-UHFFFAOYSA-N
XLogP2.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-propan-2-ylbutane-1,4-diol
CID 54159486
(2R)-7-amino-2-methyl-2-propan-2-ylheptan-1-ol
CID 174859457
2-[(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-ol
CID 83151720
2,3-dimethyl-2-(trifluoromethyl)butan-1-ol
CID 134604983
2-ethyl-2,3-dimethylbutane-1,4-diol
CID 57175682
2-(cyclopropylmethoxymethyl)-2,3-dimethylbutan-1-ol
CID 106931310
1,1-difluoro-3,3-dimethylpentane
CID 170027103
2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 105375980
2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol
CID 83151379
2-methyl-2-propan-2-ylbutane-1,3-diol
CID 12660971
3-ethyl-2,3,5-trimethylhexane
CID 53428900
2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol
CID 137410444

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol?
The IUPAC name of 4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol (CID 170599383) is 4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol.
What is the SMILES notation for 4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol?
The canonical SMILES for 4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol is CC(C)C(C)(CO)CC(F)F.
What is the InChIKey of 4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol?
The InChIKey is UECDHIZYVCGLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-6(2)8(3,5-11)4-7(9)10/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol?
4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol has a molecular weight of 166.21 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methyl-2-propan-2-ylbutan-1-ol is sourced from PubChem (CID 170599383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).