1-chloro-1,1-difluorohept-6-en-2-ol

C7H11ClF2O — CID 112575412

IUPAC1-chloro-1,1-difluorohept-6-en-2-ol
SMILESC=CCCCC(O)C(F)(F)Cl
InChIInChI=1S/C7H11ClF2O/c1-2-3-4-5-6(11)7(8,9)10/h2,6,11H,1,3-5H2
InChIKeyFRNSOELMUUSYFA-UHFFFAOYSA-N
MW184.61 g/mol
LogP2.54
Rot. Bonds5

About 1-chloro-1,1-difluorohept-6-en-2-ol

1-chloro-1,1-difluorohept-6-en-2-ol (PubChem CID 112575412) has the molecular formula C7H11ClF2O and a molecular weight of 184.61 g/mol. Its IUPAC name is 1-chloro-1,1-difluorohept-6-en-2-ol.

Molecular Properties

Compound Name1-chloro-1,1-difluorohept-6-en-2-ol
PubChem CID112575412
Molecular FormulaC7H11ClF2O
Molecular Weight184.61 g/mol
Exact Mass184.05
IUPAC Name1-chloro-1,1-difluorohept-6-en-2-ol
SMILESC=CCCCC(O)C(F)(F)Cl
InChIInChI=1S/C7H11ClF2O/c1-2-3-4-5-6(11)7(8,9)10/h2,6,11H,1,3-5H2
InChIKeyFRNSOELMUUSYFA-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.61
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1,1-difluorohept-6-en-2-ol?
The IUPAC name of 1-chloro-1,1-difluorohept-6-en-2-ol (CID 112575412) is 1-chloro-1,1-difluorohept-6-en-2-ol.
What is the SMILES notation for 1-chloro-1,1-difluorohept-6-en-2-ol?
The canonical SMILES for 1-chloro-1,1-difluorohept-6-en-2-ol is C=CCCCC(O)C(F)(F)Cl.
What is the InChIKey of 1-chloro-1,1-difluorohept-6-en-2-ol?
The InChIKey is FRNSOELMUUSYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2O/c1-2-3-4-5-6(11)7(8,9)10/h2,6,11H,1,3-5H2.
What are the key properties of 1-chloro-1,1-difluorohept-6-en-2-ol?
1-chloro-1,1-difluorohept-6-en-2-ol has a molecular weight of 184.61 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1,1-difluorohept-6-en-2-ol is sourced from PubChem (CID 112575412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).