3,3-difluoro-4,4-dimethylpentan-1-ol

C7H14F2O — CID 105429698

IUPAC3,3-difluoro-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(F)(F)CCO
InChIInChI=1S/C7H14F2O/c1-6(2,3)7(8,9)4-5-10/h10H,4-5H2,1-3H3
InChIKeyMWPHTUPOCORSLW-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.05
Rot. Bonds2

About 3,3-difluoro-4,4-dimethylpentan-1-ol

3,3-difluoro-4,4-dimethylpentan-1-ol (PubChem CID 105429698) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 3,3-difluoro-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-4,4-dimethylpentan-1-ol
PubChem CID105429698
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name3,3-difluoro-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)C(F)(F)CCO
InChIInChI=1S/C7H14F2O/c1-6(2,3)7(8,9)4-5-10/h10H,4-5H2,1-3H3
InChIKeyMWPHTUPOCORSLW-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol
CID 159243232
3,4,4,4-tetrafluoro-3-methylbutan-1-ol
CID 142168875
3,3,4,4,7,7,8,8,11,11,12,12,12-tridecafluorododecan-1-ol
CID 87061527
3,3,4,5,5,6,7,8-octafluoro-4,6,7,8-tetrakis(phosphanyl)nonan-1-ol
CID 129227890
2,2,3,3,4,4-hexafluorohexane-1,6-diol
CID 176905212
(E)-3,3,4,4,5,5,6,6,7,7-decafluorododec-10-en-1-ol
CID 121403461
3,3,4,4,5,5,6,6-octafluoro-8-sulfanyloctan-1-ol
CID 87063801
2,2,3,3-tetrafluoro-5-hydroxypentanoic acid
CID 154295532
2-(hydroxymethyl)-2,3,3-trimethylpentane-1,5-diol
CID 175377190
3,3-dimethylbutan-1-ol;ethane
CID 155708762
3,3,4,4-tetrafluoro-4-(1,1,2,2,2-pentafluoroethoxy)butan-1-ol
CID 131727974
7-fluoro-3,3,7-trimethyloctan-1-ol
CID 138725917

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4,4-dimethylpentan-1-ol?
The IUPAC name of 3,3-difluoro-4,4-dimethylpentan-1-ol (CID 105429698) is 3,3-difluoro-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3,3-difluoro-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3,3-difluoro-4,4-dimethylpentan-1-ol is CC(C)(C)C(F)(F)CCO.
What is the InChIKey of 3,3-difluoro-4,4-dimethylpentan-1-ol?
The InChIKey is MWPHTUPOCORSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-6(2,3)7(8,9)4-5-10/h10H,4-5H2,1-3H3.
What are the key properties of 3,3-difluoro-4,4-dimethylpentan-1-ol?
3,3-difluoro-4,4-dimethylpentan-1-ol has a molecular weight of 152.18 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 105429698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).