6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol

C12H13F3O — CID 175737859

IUPAC6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol
SMILESCC=CC1=CC(=C(C)C(F)(F)F)CC=C1O
InChIInChI=1S/C12H13F3O/c1-3-4-10-7-9(5-6-11(10)16)8(2)12(13,14)15/h3-4,6-7,16H,5H2,1-2H3
InChIKeySJGYRDXLJTUDCZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP4.21
Rot. Bonds1

About 6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol

6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol (PubChem CID 175737859) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol
PubChem CID175737859
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol
SMILESCC=CC1=CC(=C(C)C(F)(F)F)CC=C1O
InChIInChI=1S/C12H13F3O/c1-3-4-10-7-9(5-6-11(10)16)8(2)12(13,14)15/h3-4,6-7,16H,5H2,1-2H3
InChIKeySJGYRDXLJTUDCZ-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol (CID 175737859) is 6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol is CC=CC1=CC(=C(C)C(F)(F)F)CC=C1O.
What is the InChIKey of 6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol?
The InChIKey is SJGYRDXLJTUDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-3-4-10-7-9(5-6-11(10)16)8(2)12(13,14)15/h3-4,6-7,16H,5H2,1-2H3.
What are the key properties of 6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol?
6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol has a molecular weight of 230.23 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-enyl-4-(1,1,1-trifluoropropan-2-ylidene)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 175737859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).