3,3-difluoro-4-methyl-1-propan-2-yloxypentane

C9H18F2O — CID 129014358

IUPAC3,3-difluoro-4-methyl-1-propan-2-yloxypentane
SMILESCC(C)OCCC(F)(F)C(C)C
InChIInChI=1S/C9H18F2O/c1-7(2)9(10,11)5-6-12-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyVSHPEIPKAMTVKB-UHFFFAOYSA-N
MW180.24 g/mol
LogP3.09
Rot. Bonds5

About 3,3-difluoro-4-methyl-1-propan-2-yloxypentane

3,3-difluoro-4-methyl-1-propan-2-yloxypentane (PubChem CID 129014358) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-1-propan-2-yloxypentane.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-1-propan-2-yloxypentane
PubChem CID129014358
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name3,3-difluoro-4-methyl-1-propan-2-yloxypentane
SMILESCC(C)OCCC(F)(F)C(C)C
InChIInChI=1S/C9H18F2O/c1-7(2)9(10,11)5-6-12-8(3)4/h7-8H,5-6H2,1-4H3
InChIKeyVSHPEIPKAMTVKB-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-1-propan-2-yloxypentane?
The IUPAC name of 3,3-difluoro-4-methyl-1-propan-2-yloxypentane (CID 129014358) is 3,3-difluoro-4-methyl-1-propan-2-yloxypentane.
What is the SMILES notation for 3,3-difluoro-4-methyl-1-propan-2-yloxypentane?
The canonical SMILES for 3,3-difluoro-4-methyl-1-propan-2-yloxypentane is CC(C)OCCC(F)(F)C(C)C.
What is the InChIKey of 3,3-difluoro-4-methyl-1-propan-2-yloxypentane?
The InChIKey is VSHPEIPKAMTVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O/c1-7(2)9(10,11)5-6-12-8(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 3,3-difluoro-4-methyl-1-propan-2-yloxypentane?
3,3-difluoro-4-methyl-1-propan-2-yloxypentane has a molecular weight of 180.24 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-1-propan-2-yloxypentane is sourced from PubChem (CID 129014358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).