trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol

C8H14F2O — CID 170674781

IUPACtrans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@H]1CC(F)(F)C[C@@H]1O
InChIInChI=1S/C8H14F2O/c1-5(2)6-3-8(9,10)4-7(6)11/h5-7,11H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKeyASWHEZFAYSKUBL-RQJHMYQMSA-N
MW164.19 g/mol
LogP2.05
Rot. Bonds1

About trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol

trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol (PubChem CID 170674781) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol
PubChem CID170674781
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Nametrans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol
SMILESCC(C)[C@H]1CC(F)(F)C[C@@H]1O
InChIInChI=1S/C8H14F2O/c1-5(2)6-3-8(9,10)4-7(6)11/h5-7,11H,3-4H2,1-2H3/t6-,7+/m1/s1
InChIKeyASWHEZFAYSKUBL-RQJHMYQMSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol?
The IUPAC name of trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol (CID 170674781) is trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol is CC(C)[C@H]1CC(F)(F)C[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol?
The InChIKey is ASWHEZFAYSKUBL-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14F2O/c1-5(2)6-3-8(9,10)4-7(6)11/h5-7,11H,3-4H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol?
trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol has a molecular weight of 164.19 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-4,4-difluoro-2-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 170674781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).