ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane

C17H35F2OP — CID 143346330

IUPACethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane
SMILESCC.CC.CC.CCC1/C=C(/OC(F)(F)P)C/C=C\CC1
InChIInChI=1S/C11H17F2OP.3C2H6/c1-2-9-6-4-3-5-7-10(8-9)14-11(12,13)15;3*1-2/h3,5,8-9H,2,4,6-7,15H2,1H3;3*1-2H3/b5-3-,10-8+;;;
InChIKeyUXMQSMAWHAOYDW-ORCVWBQJSA-N
MW324.44 g/mol
LogP7.16
Rot. Bonds3

About ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane

ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane (PubChem CID 143346330) has the molecular formula C17H35F2OP and a molecular weight of 324.44 g/mol. Its IUPAC name is ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane.

Molecular Properties

Compound Nameethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane
PubChem CID143346330
Molecular FormulaC17H35F2OP
Molecular Weight324.44 g/mol
Exact Mass324.24
IUPAC Nameethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane
SMILESCC.CC.CC.CCC1/C=C(/OC(F)(F)P)C/C=C\CC1
InChIInChI=1S/C11H17F2OP.3C2H6/c1-2-9-6-4-3-5-7-10(8-9)14-11(12,13)15;3*1-2/h3,5,8-9H,2,4,6-7,15H2,1H3;3*1-2H3/b5-3-,10-8+;;;
InChIKeyUXMQSMAWHAOYDW-ORCVWBQJSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.44
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene
CID 144804758
[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane
CID 143346331
7-Ethyl-6-propan-2-yl-2-(trifluoromethoxy)cycloocta-1,4-diene
CID 162592379

Frequently Asked Questions

What is the IUPAC name of ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane?
The IUPAC name of ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane (CID 143346330) is ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane.
What is the SMILES notation for ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane?
The canonical SMILES for ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane is CC.CC.CC.CCC1/C=C(/OC(F)(F)P)C/C=C\CC1.
What is the InChIKey of ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane?
The InChIKey is UXMQSMAWHAOYDW-ORCVWBQJSA-N. The full InChI is InChI=1S/C11H17F2OP.3C2H6/c1-2-9-6-4-3-5-7-10(8-9)14-11(12,13)15;3*1-2/h3,5,8-9H,2,4,6-7,15H2,1H3;3*1-2H3/b5-3-,10-8+;;;.
What are the key properties of ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane?
ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane has a molecular weight of 324.44 g/mol, XLogP of 7.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane is sourced from PubChem (CID 143346330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).