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

C10H14F2O — CID 118297479

IUPAC1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol
SMILESCC1=C(CC(C)O)C=C(F)CC1F
InChIInChI=1S/C10H14F2O/c1-6(13)3-8-4-9(11)5-10(12)7(8)2/h4,6,10,13H,3,5H2,1-2H3
InChIKeyZLAFTGNTWKYJPB-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.67
Rot. Bonds2

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

1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol (PubChem CID 118297479) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol
PubChem CID118297479
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol
SMILESCC1=C(CC(C)O)C=C(F)CC1F
InChIInChI=1S/C10H14F2O/c1-6(13)3-8-4-9(11)5-10(12)7(8)2/h4,6,10,13H,3,5H2,1-2H3
InChIKeyZLAFTGNTWKYJPB-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.67
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-methylcyclohexa-1,5-dien-1-yl)propan-2-ol?
The IUPAC name of 1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol (CID 118297479) is 1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol is CC1=C(CC(C)O)C=C(F)CC1F.
What is the InChIKey of 1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol?
The InChIKey is ZLAFTGNTWKYJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c1-6(13)3-8-4-9(11)5-10(12)7(8)2/h4,6,10,13H,3,5H2,1-2H3.
What are the key properties of 1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol?
1-(3,5-difluoro-2-methylcyclohexa-1,5-dien-1-yl)propan-2-ol has a molecular weight of 188.22 g/mol, XLogP of 2.67, 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-methylcyclohexa-1,5-dien-1-yl)propan-2-ol is sourced from PubChem (CID 118297479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).