(1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol

C10H10F4O — CID 165415765

IUPAC(1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol
SMILESC=C[C@@](F)([C@@H](O)C1=CC=CC1)C(F)(F)F
InChIInChI=1S/C10H10F4O/c1-2-9(11,10(12,13)14)8(15)7-5-3-4-6-7/h2-5,8,15H,1,6H2/t8-,9+/m0/s1
InChIKeyLAUVLFYIMLVQQD-DTWKUNHWSA-N
MW222.18 g/mol
LogP2.69
Rot. Bonds3

About (1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol

(1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol (PubChem CID 165415765) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is (1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol
PubChem CID165415765
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name(1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol
SMILESC=C[C@@](F)([C@@H](O)C1=CC=CC1)C(F)(F)F
InChIInChI=1S/C10H10F4O/c1-2-9(11,10(12,13)14)8(15)7-5-3-4-6-7/h2-5,8,15H,1,6H2/t8-,9+/m0/s1
InChIKeyLAUVLFYIMLVQQD-DTWKUNHWSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.69
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

2,6,6-Tris(fluoromethyl)cyclohexa-2,4-dien-1-ol
CID 66633136
(1S)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol
CID 87087316
(1R)-1-[3,5-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanol
CID 87087339
2,6-Bis(1,1,1-trifluoropropan-2-yl)cyclohexa-2,4-dien-1-ol
CID 89299198
2-(Difluoromethyl)-5-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 118281593
5-Methyl-2,4-bis(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 118396525
(6S,7E,8Z)-11,11,11-trifluoro-7-prop-2-enylideneundeca-1,8-dien-6-ol
CID 134408214
5,5-Difluoro-2-prop-1-en-2-ylcyclopent-2-en-1-ol;propane
CID 142287114
5-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclohexa-1,5-diene-1,4-diol
CID 147280085
potassium (4Z,5E)-4-ethylidene-2,2-difluoro-5-prop-2-enylidenecyclopentan-1-ol
CID 154678278
5-Propan-2-yl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-ol
CID 163602906
3,5-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-ol
CID 163794301

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol?
The IUPAC name of (1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol (CID 165415765) is (1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol.
What is the SMILES notation for (1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol?
The canonical SMILES for (1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol is C=C[C@@](F)([C@@H](O)C1=CC=CC1)C(F)(F)F.
What is the InChIKey of (1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol?
The InChIKey is LAUVLFYIMLVQQD-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H10F4O/c1-2-9(11,10(12,13)14)8(15)7-5-3-4-6-7/h2-5,8,15H,1,6H2/t8-,9+/m0/s1.
What are the key properties of (1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol?
(1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol has a molecular weight of 222.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-cyclopenta-1,3-dien-1-yl-2-fluoro-2-(trifluoromethyl)but-3-en-1-ol is sourced from PubChem (CID 165415765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).