2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol

C8H13F5O — CID 87318533

IUPAC2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol
SMILESCCC(F)(F)C(CC)(CO)C(F)(F)F
InChIInChI=1S/C8H13F5O/c1-3-6(5-14,8(11,12)13)7(9,10)4-2/h14H,3-5H2,1-2H3
InChIKeyDLQDVPHJBVIOCT-UHFFFAOYSA-N
MW220.18 g/mol
LogP2.98
Rot. Bonds4

About 2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol

2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol (PubChem CID 87318533) has the molecular formula C8H13F5O and a molecular weight of 220.18 g/mol. Its IUPAC name is 2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol
PubChem CID87318533
Molecular FormulaC8H13F5O
Molecular Weight220.18 g/mol
Exact Mass220.09
IUPAC Name2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol
SMILESCCC(F)(F)C(CC)(CO)C(F)(F)F
InChIInChI=1S/C8H13F5O/c1-3-6(5-14,8(11,12)13)7(9,10)4-2/h14H,3-5H2,1-2H3
InChIKeyDLQDVPHJBVIOCT-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-2-ethyl-3,3-dimethylbutan-1-ol
CID 139931222
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorononan-1-ol
CID 162621203
2,2-bis(trifluoromethyl)butane-1,4-diol
CID 117062728
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
1,1,1,2,2-pentafluorobutane;1,1,1,2-tetrafluoroethane
CID 161114745
2,2,3,3-tetrafluoropentane
CID 12951106
bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc
CID 22386022
2-ethyl-2-fluoro-4-methylpentan-1-ol
CID 160606939
2,4-diethyl-3,3-difluoro-2,4-dimethylpentane-1,5-diol
CID 137410444
ethane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane
CID 142493287
2-bromo-2,3,3,3-tetrafluoropropan-1-ol
CID 13327478
2-methyl-2-(trifluoromethyl)propane-1,3-diol
CID 118400148

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol (CID 87318533) is 2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol is CCC(F)(F)C(CC)(CO)C(F)(F)F.
What is the InChIKey of 2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol?
The InChIKey is DLQDVPHJBVIOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F5O/c1-3-6(5-14,8(11,12)13)7(9,10)4-2/h14H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol?
2-ethyl-3,3-difluoro-2-(trifluoromethyl)pentan-1-ol has a molecular weight of 220.18 g/mol, XLogP of 2.98, 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-difluoro-2-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 87318533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).