cyclopentylmethyl 2,2-difluoroacetate

C8H12F2O2 — CID 58225814

IUPACcyclopentylmethyl 2,2-difluoroacetate
SMILESO=C(OCC1CCCC1)C(F)F
InChIInChI=1S/C8H12F2O2/c9-7(10)8(11)12-5-6-3-1-2-4-6/h6-7H,1-5H2
InChIKeyNFHUZZXNDSCAFC-UHFFFAOYSA-N
MW178.18 g/mol
LogP1.98
Rot. Bonds3

About cyclopentylmethyl 2,2-difluoroacetate

cyclopentylmethyl 2,2-difluoroacetate (PubChem CID 58225814) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is cyclopentylmethyl 2,2-difluoroacetate.

Molecular Properties

Compound Namecyclopentylmethyl 2,2-difluoroacetate
PubChem CID58225814
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Namecyclopentylmethyl 2,2-difluoroacetate
SMILESO=C(OCC1CCCC1)C(F)F
InChIInChI=1S/C8H12F2O2/c9-7(10)8(11)12-5-6-3-1-2-4-6/h6-7H,1-5H2
InChIKeyNFHUZZXNDSCAFC-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexylmethyl trifluoroacetate
CID 543382
Cyclopentylmethyl acetate
CID 13240739
Trifluoroacetylcyclopentanoate
CID 57196648
Rel-ethyl (1r,3R,4S)-3,4-difluorocyclopentane-1-carboxylate
CID 155904398
2-Ethyl-1-hexyl trifluoroacetate
CID 71672701
ethyl rel-(1r,3R,4S)-3,4-difluorocyclopentanecarboxylate
CID 155893125
1-Cyclopentylethanol, trifluoroacetate
CID 549601
Z-2-Hydroxymethylcyclopentanol, bistrifluoroacetate (ester)
CID 557061
Cyclopentanecarboxylic Acid, 2,2,2 trifluoroethyl ester
CID 86173867
2-Propyl-1-Pentanol, trifluoroacetate
CID 91692877
1-Cyclopentylethanol, pentafluoropropionate
CID 91694800
Cyclopentanecarboxylic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester
CID 91695314

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2,2-difluoroacetate?
The IUPAC name of cyclopentylmethyl 2,2-difluoroacetate (CID 58225814) is cyclopentylmethyl 2,2-difluoroacetate.
What is the SMILES notation for cyclopentylmethyl 2,2-difluoroacetate?
The canonical SMILES for cyclopentylmethyl 2,2-difluoroacetate is O=C(OCC1CCCC1)C(F)F.
What is the InChIKey of cyclopentylmethyl 2,2-difluoroacetate?
The InChIKey is NFHUZZXNDSCAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c9-7(10)8(11)12-5-6-3-1-2-4-6/h6-7H,1-5H2.
What are the key properties of cyclopentylmethyl 2,2-difluoroacetate?
cyclopentylmethyl 2,2-difluoroacetate has a molecular weight of 178.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2,2-difluoroacetate is sourced from PubChem (CID 58225814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).