2-(difluoromethoxy)pent-1-ene

C6H10F2O — CID 123931910

IUPAC2-(difluoromethoxy)pent-1-ene
SMILESC=C(CCC)OC(F)F
InChIInChI=1S/C6H10F2O/c1-3-4-5(2)9-6(7)8/h6H,2-4H2,1H3
InChIKeyLOBCKOQMFDZNHQ-UHFFFAOYSA-N
MW136.14 g/mol
LogP2.54
Rot. Bonds4

About 2-(difluoromethoxy)pent-1-ene

2-(difluoromethoxy)pent-1-ene (PubChem CID 123931910) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 2-(difluoromethoxy)pent-1-ene.

Molecular Properties

Compound Name2-(difluoromethoxy)pent-1-ene
PubChem CID123931910
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name2-(difluoromethoxy)pent-1-ene
SMILESC=C(CCC)OC(F)F
InChIInChI=1S/C6H10F2O/c1-3-4-5(2)9-6(7)8/h6H,2-4H2,1H3
InChIKeyLOBCKOQMFDZNHQ-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-1-pentene
CID 143007
3-Fluoro-2-methoxybut-1-ene
CID 88556329
3,3-Difluoro-2-methoxybut-1-ene
CID 89018192
2-(Trifluoromethoxy)but-1-ene
CID 90210903
2-(Difluoromethoxy)but-1-ene
CID 122541919
5-Fluoro-2-methoxypent-1-ene
CID 122541942
3,3,5-Trifluoro-2-methoxyhexa-1,5-diene
CID 132153170
4,4,4-Trifluoro-2-prop-1-en-2-yloxybut-1-ene
CID 139572330
2-(Chloromethoxy)-3,3,4-trifluoropent-1-ene
CID 140821807
3,3-Difluoro-2-methoxybut-1-ene;ethene
CID 143721683
4,4-Difluoro-3-methoxypenta-1,2-diene
CID 143721724
3,3-Difluoro-2-methoxypent-1-ene
CID 143721934

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)pent-1-ene?
The IUPAC name of 2-(difluoromethoxy)pent-1-ene (CID 123931910) is 2-(difluoromethoxy)pent-1-ene.
What is the SMILES notation for 2-(difluoromethoxy)pent-1-ene?
The canonical SMILES for 2-(difluoromethoxy)pent-1-ene is C=C(CCC)OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)pent-1-ene?
The InChIKey is LOBCKOQMFDZNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-3-4-5(2)9-6(7)8/h6H,2-4H2,1H3.
What are the key properties of 2-(difluoromethoxy)pent-1-ene?
2-(difluoromethoxy)pent-1-ene has a molecular weight of 136.14 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)pent-1-ene is sourced from PubChem (CID 123931910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).