3-(difluoromethyl)heptane

C8H16F2 — CID 23237105

IUPAC3-(difluoromethyl)heptane
SMILESCCCCC(CC)C(F)F
InChIInChI=1S/C8H16F2/c1-3-5-6-7(4-2)8(9)10/h7-8H,3-6H2,1-2H3
InChIKeyYESYOHVPZJBNIJ-UHFFFAOYSA-N
MW150.21 g/mol
LogP3.47
Rot. Bonds5

About 3-(difluoromethyl)heptane

3-(difluoromethyl)heptane (PubChem CID 23237105) has the molecular formula C8H16F2 and a molecular weight of 150.21 g/mol. Its IUPAC name is 3-(difluoromethyl)heptane.

Molecular Properties

Compound Name3-(difluoromethyl)heptane
PubChem CID23237105
Molecular FormulaC8H16F2
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name3-(difluoromethyl)heptane
SMILESCCCCC(CC)C(F)F
InChIInChI=1S/C8H16F2/c1-3-5-6-7(4-2)8(9)10/h7-8H,3-6H2,1-2H3
InChIKeyYESYOHVPZJBNIJ-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)heptane?
The IUPAC name of 3-(difluoromethyl)heptane (CID 23237105) is 3-(difluoromethyl)heptane.
What is the SMILES notation for 3-(difluoromethyl)heptane?
The canonical SMILES for 3-(difluoromethyl)heptane is CCCCC(CC)C(F)F.
What is the InChIKey of 3-(difluoromethyl)heptane?
The InChIKey is YESYOHVPZJBNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2/c1-3-5-6-7(4-2)8(9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(difluoromethyl)heptane?
3-(difluoromethyl)heptane has a molecular weight of 150.21 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)heptane is sourced from PubChem (CID 23237105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).