2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol

C14H26F2O — CID 114225416

IUPAC2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)CC1CCC(F)(F)C1
InChIInChI=1S/C14H26F2O/c1-3-5-7-13(4-2,11-17)9-12-6-8-14(15,16)10-12/h12,17H,3-11H2,1-2H3
InChIKeyPZSXILLDCONBOD-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.39
Rot. Bonds7

About 2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol

2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol (PubChem CID 114225416) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol.

Molecular Properties

Compound Name2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol
PubChem CID114225416
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)CC1CCC(F)(F)C1
InChIInChI=1S/C14H26F2O/c1-3-5-7-13(4-2,11-17)9-12-6-8-14(15,16)10-12/h12,17H,3-11H2,1-2H3
InChIKeyPZSXILLDCONBOD-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-2-ethylpropane-1,3-diol
CID 87084275
1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
CID 130487394
3-[(3,3-difluorocyclopentyl)methyl]-3-hydroxy-2,2-dimethylpentanoic acid
CID 123297799
1-(3,3-difluorocyclohexyl)-2-methylheptan-2-ol
CID 114224511
2-ethyl-2-[[4-[2-ethyl-2-(hydroxymethyl)hexoxy]cyclohexyl]oxymethyl]hexan-1-ol
CID 130308388
2,2-dipropylhexan-1-ol;2-ethyl-2-propylhexan-1-ol
CID 23057811
3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
CID 130487636
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
2-(cyclopentylmethyl)-2-ethylpropane-1,3-diol
CID 79449950
2-(cyclopentylmethyl)-2-ethylbutan-1-ol
CID 66058711
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
5,8-dibutyl-5,8-diethyldodecane
CID 140960006

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol?
The IUPAC name of 2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol (CID 114225416) is 2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol.
What is the SMILES notation for 2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol?
The canonical SMILES for 2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol is CCCCC(CC)(CO)CC1CCC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol?
The InChIKey is PZSXILLDCONBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O/c1-3-5-7-13(4-2,11-17)9-12-6-8-14(15,16)10-12/h12,17H,3-11H2,1-2H3.
What are the key properties of 2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol?
2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol has a molecular weight of 248.36 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclopentyl)methyl]-2-ethylhexan-1-ol is sourced from PubChem (CID 114225416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).