3,3-difluoro-1-pentoxypentane

C10H20F2O — CID 175614037

IUPAC3,3-difluoro-1-pentoxypentane
SMILESCCCCCOCCC(F)(F)CC
InChIInChI=1S/C10H20F2O/c1-3-5-6-8-13-9-7-10(11,12)4-2/h3-9H2,1-2H3
InChIKeyDJHRQCMTTIKFPZ-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.63
Rot. Bonds8

About 3,3-difluoro-1-pentoxypentane

3,3-difluoro-1-pentoxypentane (PubChem CID 175614037) has the molecular formula C10H20F2O and a molecular weight of 194.26 g/mol. Its IUPAC name is 3,3-difluoro-1-pentoxypentane.

Molecular Properties

Compound Name3,3-difluoro-1-pentoxypentane
PubChem CID175614037
Molecular FormulaC10H20F2O
Molecular Weight194.26 g/mol
Exact Mass194.15
IUPAC Name3,3-difluoro-1-pentoxypentane
SMILESCCCCCOCCC(F)(F)CC
InChIInChI=1S/C10H20F2O/c1-3-5-6-8-13-9-7-10(11,12)4-2/h3-9H2,1-2H3
InChIKeyDJHRQCMTTIKFPZ-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 172565145
3,3-difluorooctane
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1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
1-butoxy-3,3-difluorobutane
CID 175614029
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-pentoxypentane?
The IUPAC name of 3,3-difluoro-1-pentoxypentane (CID 175614037) is 3,3-difluoro-1-pentoxypentane.
What is the SMILES notation for 3,3-difluoro-1-pentoxypentane?
The canonical SMILES for 3,3-difluoro-1-pentoxypentane is CCCCCOCCC(F)(F)CC.
What is the InChIKey of 3,3-difluoro-1-pentoxypentane?
The InChIKey is DJHRQCMTTIKFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O/c1-3-5-6-8-13-9-7-10(11,12)4-2/h3-9H2,1-2H3.
What are the key properties of 3,3-difluoro-1-pentoxypentane?
3,3-difluoro-1-pentoxypentane has a molecular weight of 194.26 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-pentoxypentane is sourced from PubChem (CID 175614037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).