(3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol

C10H14F2O2 — CID 130580045

IUPAC(3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol
SMILESOC(C1=COCC1)C1CCC(F)(F)C1
InChIInChI=1S/C10H14F2O2/c11-10(12)3-1-7(5-10)9(13)8-2-4-14-6-8/h6-7,9,13H,1-5H2
InChIKeyBNPKOHUIRPGVCL-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.09
Rot. Bonds2

About (3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol

(3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol (PubChem CID 130580045) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol
PubChem CID130580045
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol
SMILESOC(C1=COCC1)C1CCC(F)(F)C1
InChIInChI=1S/C10H14F2O2/c11-10(12)3-1-7(5-10)9(13)8-2-4-14-6-8/h6-7,9,13H,1-5H2
InChIKeyBNPKOHUIRPGVCL-UHFFFAOYSA-N
XLogP2.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol?
The IUPAC name of (3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol (CID 130580045) is (3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol?
The canonical SMILES for (3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol is OC(C1=COCC1)C1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol?
The InChIKey is BNPKOHUIRPGVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O2/c11-10(12)3-1-7(5-10)9(13)8-2-4-14-6-8/h6-7,9,13H,1-5H2.
What are the key properties of (3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol?
(3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol has a molecular weight of 204.22 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(2,3-dihydrofuran-4-yl)methanol is sourced from PubChem (CID 130580045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).