1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol

C11H16F2O — CID 70970332

IUPAC1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol
SMILESCC1=C(CC(C)O)C=C(F)C(C)C1F
InChIInChI=1S/C11H16F2O/c1-6(14)4-9-5-10(12)8(3)11(13)7(9)2/h5-6,8,11,14H,4H2,1-3H3
InChIKeyLSCHXCYQULGUQD-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.91
Rot. Bonds2

About 1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol

1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol (PubChem CID 70970332) has the molecular formula C11H16F2O and a molecular weight of 202.24 g/mol. Its IUPAC name is 1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol
PubChem CID70970332
Molecular FormulaC11H16F2O
Molecular Weight202.24 g/mol
Exact Mass202.12
IUPAC Name1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol
SMILESCC1=C(CC(C)O)C=C(F)C(C)C1F
InChIInChI=1S/C11H16F2O/c1-6(14)4-9-5-10(12)8(3)11(13)7(9)2/h5-6,8,11,14H,4H2,1-3H3
InChIKeyLSCHXCYQULGUQD-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol?
The IUPAC name of 1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol (CID 70970332) is 1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol is CC1=C(CC(C)O)C=C(F)C(C)C1F.
What is the InChIKey of 1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol?
The InChIKey is LSCHXCYQULGUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2O/c1-6(14)4-9-5-10(12)8(3)11(13)7(9)2/h5-6,8,11,14H,4H2,1-3H3.
What are the key properties of 1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol?
1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol has a molecular weight of 202.24 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol is sourced from PubChem (CID 70970332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).