(3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate

C14H22F4O3 — CID 158542629

IUPAC(3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(F)(F)C1.OCC1CCC(F)(F)C1
InChIInChI=1S/C8H12F2O2.C6H10F2O/c1-2-12-7(11)6-3-4-8(9,10)5-6;7-6(8)2-1-5(3-6)4-9/h6H,2-5H2,1H3;5,9H,1-4H2
InChIKeyHOSFKPVCZOTQDC-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.40
Rot. Bonds3

About (3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate

(3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate (PubChem CID 158542629) has the molecular formula C14H22F4O3 and a molecular weight of 314.32 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate
PubChem CID158542629
Molecular FormulaC14H22F4O3
Molecular Weight314.32 g/mol
Exact Mass314.15
IUPAC Name(3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CCC(F)(F)C1.OCC1CCC(F)(F)C1
InChIInChI=1S/C8H12F2O2.C6H10F2O/c1-2-12-7(11)6-3-4-8(9,10)5-6;7-6(8)2-1-5(3-6)4-9/h6H,2-5H2,1H3;5,9H,1-4H2
InChIKeyHOSFKPVCZOTQDC-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-fluoro-4-methylcyclohexane-1-carboxylate;hydrofluoride
CID 143101970
cis-ethyl (1R,3S)-3-(hydroxymethyl)cyclopentane-1-carboxylate
CID 10607292
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
ethyl 2-amino-3-(3,3-difluorocyclobutyl)propanoate
CID 138987441
ethyl 2-bromo-2-fluorocyclopropane-1-carboxylate
CID 22371314
diethyl 2-[(3,3-difluorocyclobutyl)methyl]propanedioate
CID 90081340
ethyl 4-(chlorosulfinylmethyl)-4-fluorocyclohexane-1-carboxylate
CID 165452802
ethyl 1-oxaspiro[4.5]decane-7-carboxylate
CID 70215305
methyl (2S)-2-[[(1S)-3,3-difluorocyclopentyl]methyl]butanoate
CID 58484957
O-[(3,3-difluorocyclopentyl)methyl]hydroxylamine
CID 126974531
ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate
CID 136539242
ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate?
The IUPAC name of (3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate (CID 158542629) is (3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate.
What is the SMILES notation for (3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate?
The canonical SMILES for (3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate is CCOC(=O)C1CCC(F)(F)C1.OCC1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate?
The InChIKey is HOSFKPVCZOTQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2.C6H10F2O/c1-2-12-7(11)6-3-4-8(9,10)5-6;7-6(8)2-1-5(3-6)4-9/h6H,2-5H2,1H3;5,9H,1-4H2.
What are the key properties of (3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate?
(3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate has a molecular weight of 314.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)methanol;ethyl 3,3-difluorocyclopentane-1-carboxylate is sourced from PubChem (CID 158542629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).