(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol

C9H16F2O — CID 167145522

IUPAC(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol
SMILESCC(C)(C)C1CC(F)(F)C[C@H]1O
InChIInChI=1S/C9H16F2O/c1-8(2,3)6-4-9(10,11)5-7(6)12/h6-7,12H,4-5H2,1-3H3/t6?,7-/m1/s1
InChIKeyVQDGXPURXDGAOP-COBSHVIPSA-N
MW178.22 g/mol
LogP2.44
Rot. Bonds

About (1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol

(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol (PubChem CID 167145522) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is (1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol.

Molecular Properties

Compound Name(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol
PubChem CID167145522
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol
SMILESCC(C)(C)C1CC(F)(F)C[C@H]1O
InChIInChI=1S/C9H16F2O/c1-8(2,3)6-4-9(10,11)5-7(6)12/h6-7,12H,4-5H2,1-3H3/t6?,7-/m1/s1
InChIKeyVQDGXPURXDGAOP-COBSHVIPSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol?
The IUPAC name of (1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol (CID 167145522) is (1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol.
What is the SMILES notation for (1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol?
The canonical SMILES for (1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol is CC(C)(C)C1CC(F)(F)C[C@H]1O.
What is the InChIKey of (1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol?
The InChIKey is VQDGXPURXDGAOP-COBSHVIPSA-N. The full InChI is InChI=1S/C9H16F2O/c1-8(2,3)6-4-9(10,11)5-7(6)12/h6-7,12H,4-5H2,1-3H3/t6?,7-/m1/s1.
What are the key properties of (1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol?
(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol has a molecular weight of 178.22 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol is sourced from PubChem (CID 167145522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).