2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H10F6O — CID 15965868

IUPAC2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CC1=CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6O/c10-8(11,12)7(16,9(13,14)15)5-6-3-1-2-4-6/h3,16H,1-2,4-5H2
InChIKeyLTNZGSHJQFULRF-UHFFFAOYSA-N
MW248.17 g/mol
LogP3.34
Rot. Bonds2

About 2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 15965868) has the molecular formula C9H10F6O and a molecular weight of 248.17 g/mol. Its IUPAC name is 2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID15965868
Molecular FormulaC9H10F6O
Molecular Weight248.17 g/mol
Exact Mass248.06
IUPAC Name2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CC1=CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F6O/c10-8(11,12)7(16,9(13,14)15)5-6-3-1-2-4-6/h3,16H,1-2,4-5H2
InChIKeyLTNZGSHJQFULRF-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
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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Related Compounds

2-(1',1'-Bis(trifluoromethyl)-1'-hydroxyethyl)norbornene
CID 58999840
2-(Cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58999854
4-Cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(fluoromethyl)butan-2-ol
CID 68274125
2-(2-Bicyclo[2.2.1]hept-4-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87731630
2-(2-Bicyclo[2.2.1]hept-4-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87733376
4-Cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 88918236
2-(2-Bicyclo[2.2.1]hept-1(6)-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 91300240
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)-2-pentylcyclopent-2-en-1-ol
CID 101874587
2-(2-Bicyclo[2.2.1]hept-2-enylmethyl)-1,1,1,4,4,4-hexafluorobutan-2-ol
CID 118862603
3-(Cyclopenten-1-ylmethyl)-1,1,1,3,4,4,5,6,6-nonafluoro-2-methylhex-5-en-2-ol
CID 140045550
1,1,2,3,3,3-Hexafluoro-2-[3-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-1-ol
CID 140485399
2-Methyl-6-(trifluoromethyl)oct-6-en-2-ol
CID 141318923

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 15965868) is 2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(CC1=CCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is LTNZGSHJQFULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O/c10-8(11,12)7(16,9(13,14)15)5-6-3-1-2-4-6/h3,16H,1-2,4-5H2.
What are the key properties of 2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 248.17 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 15965868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).