1,5-difluoro-2-methylcycloheptane

C8H14F2 — CID 138653554

IUPAC1,5-difluoro-2-methylcycloheptane
SMILESCC1CCC(F)CCC1F
InChIInChI=1S/C8H14F2/c1-6-2-3-7(9)4-5-8(6)10/h6-8H,2-5H2,1H3
InChIKeyJINQNYDNQPGNGA-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.87
Rot. Bonds

About 1,5-difluoro-2-methylcycloheptane

1,5-difluoro-2-methylcycloheptane (PubChem CID 138653554) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1,5-difluoro-2-methylcycloheptane.

Molecular Properties

Compound Name1,5-difluoro-2-methylcycloheptane
PubChem CID138653554
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1,5-difluoro-2-methylcycloheptane
SMILESCC1CCC(F)CCC1F
InChIInChI=1S/C8H14F2/c1-6-2-3-7(9)4-5-8(6)10/h6-8H,2-5H2,1H3
InChIKeyJINQNYDNQPGNGA-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-2-methylcycloheptane?
The IUPAC name of 1,5-difluoro-2-methylcycloheptane (CID 138653554) is 1,5-difluoro-2-methylcycloheptane.
What is the SMILES notation for 1,5-difluoro-2-methylcycloheptane?
The canonical SMILES for 1,5-difluoro-2-methylcycloheptane is CC1CCC(F)CCC1F.
What is the InChIKey of 1,5-difluoro-2-methylcycloheptane?
The InChIKey is JINQNYDNQPGNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-6-2-3-7(9)4-5-8(6)10/h6-8H,2-5H2,1H3.
What are the key properties of 1,5-difluoro-2-methylcycloheptane?
1,5-difluoro-2-methylcycloheptane has a molecular weight of 148.20 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-2-methylcycloheptane is sourced from PubChem (CID 138653554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).