2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol

C7H10F6O — CID 13442061

IUPAC2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol
SMILESCCC(CO)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-2-4(3-14)6(9,10)5(8)7(11,12)13/h4-5,14H,2-3H2,1H3
InChIKeyHIWIMXBVHNWWBM-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.54
Rot. Bonds4

About 2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol

2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol (PubChem CID 13442061) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol.

Molecular Properties

Compound Name2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol
PubChem CID13442061
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol
SMILESCCC(CO)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-2-4(3-14)6(9,10)5(8)7(11,12)13/h4-5,14H,2-3H2,1H3
InChIKeyHIWIMXBVHNWWBM-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Heptafluoropropyl)pentane-1,5-diol
CID 71367627
3,3,4,5,5,5-Hexafluoro-2-methylpentan-1-ol
CID 115661
(3,3-Difluorocyclopentyl)methanol
CID 59340973
(1R)-3,3-Difluorocyclopentanemethanol
CID 72208028
(2,2-Difluorocyclopentyl)methanol
CID 84020623
2-Ethyl-4,4,4-trifluorobutan-1-ol
CID 86001735
2-Ethyl-3,3-difluorobutan-1-ol
CID 139023981
(2S,3S)-6,6,6-trifluoro-3-methylhexan-2-ol
CID 164673562
2-Ethyl-4,4-difluorobutan-1-ol
CID 122163520
4,5,5,6,6,6-Hexafluoro-4-(trifluoromethyl)hexan-1-ol
CID 2775052
2-(Trifluoromethyl)hexan-1-ol
CID 10261518
2,2,3,4,4,5,6,6,6-Nonafluoro-3-(trifluoromethyl)hexan-1-ol
CID 11381976

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol?
The IUPAC name of 2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol (CID 13442061) is 2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol.
What is the SMILES notation for 2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol?
The canonical SMILES for 2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol is CCC(CO)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol?
The InChIKey is HIWIMXBVHNWWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-2-4(3-14)6(9,10)5(8)7(11,12)13/h4-5,14H,2-3H2,1H3.
What are the key properties of 2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol?
2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol has a molecular weight of 224.14 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3,4,5,5,5-hexafluoropentan-1-ol is sourced from PubChem (CID 13442061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).