2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H10F6O — CID 162551091

IUPAC2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1=C2CC[C@@H](C2)C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O/c11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5/h5,17H,1-4H2/t5-/m0/s1
InChIKeyIIQPGOGRRDQCMA-YFKPBYRVSA-N
MW260.18 g/mol
LogP3.34
Rot. Bonds1

About 2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 162551091) has the molecular formula C10H10F6O and a molecular weight of 260.18 g/mol. Its IUPAC name is 2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID162551091
Molecular FormulaC10H10F6O
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1=C2CC[C@@H](C2)C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O/c11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5/h5,17H,1-4H2/t5-/m0/s1
InChIKeyIIQPGOGRRDQCMA-YFKPBYRVSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 162551091) is 2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1=C2CC[C@@H](C2)C1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is IIQPGOGRRDQCMA-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10F6O/c11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5/h5,17H,1-4H2/t5-/m0/s1.
What are the key properties of 2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 260.18 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-bicyclo[2.2.1]hept-1-enyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 162551091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).