methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate

C8H12F2O3 — CID 131065671

IUPACmethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
SMILESCOC(=O)C(F)(F)C1(O)CCCC1
InChIInChI=1S/C8H12F2O3/c1-13-6(11)8(9,10)7(12)4-2-3-5-7/h12H,2-5H2,1H3
InChIKeyQVJQWSTYUMQAKM-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.10
Rot. Bonds2

About methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate

methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate (PubChem CID 131065671) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate.

Molecular Properties

Compound Namemethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
PubChem CID131065671
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Namemethyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate
SMILESCOC(=O)C(F)(F)C1(O)CCCC1
InChIInChI=1S/C8H12F2O3/c1-13-6(11)8(9,10)7(12)4-2-3-5-7/h12H,2-5H2,1H3
InChIKeyQVJQWSTYUMQAKM-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate
CID 131412933
ethyl 2,2-difluoro-2-(1-hydroxycyclobutyl)acetate
CID 62396584
2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid
CID 45098570
1,1,1,3,3-pentafluoro-3-(1-hydroxycyclohexyl)propan-2-one
CID 58995471
methyl (E)-4-[[2,2-difluoro-2-(1-hydroxycyclobutyl)acetyl]amino]but-2-enoate
CID 166316980
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080
methyl 4-hydroxy-4-(1,1,3,3,3-pentafluoro-2-oxopropyl)cyclohexane-1-carboxylate
CID 23108406
2-[(1-hydroxycyclopentyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899466
ethyl 2,2-difluoro-2-(1-hydroxy-4-propan-2-ylcyclohexyl)acetate
CID 62703756
1-(1-methoxy-2-methyl-1-oxopropan-2-yl)cyclohexane-1-carboxylic acid
CID 121455279
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate
CID 79623676
tert-butyl N-[2-(1-hydroxycyclopentyl)propan-2-yl]carbamate
CID 167725838

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate?
The IUPAC name of methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate (CID 131065671) is methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate.
What is the SMILES notation for methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate?
The canonical SMILES for methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate is COC(=O)C(F)(F)C1(O)CCCC1.
What is the InChIKey of methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate?
The InChIKey is QVJQWSTYUMQAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c1-13-6(11)8(9,10)7(12)4-2-3-5-7/h12H,2-5H2,1H3.
What are the key properties of methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate?
methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate has a molecular weight of 194.18 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-difluoro-2-(1-hydroxycyclopentyl)acetate is sourced from PubChem (CID 131065671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).