[difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane

C9H13F2OP — CID 142531243

IUPAC[difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane
SMILESC=C/C=C\C(OC(F)(F)P)=C(C)C
InChIInChI=1S/C9H13F2OP/c1-4-5-6-8(7(2)3)12-9(10,11)13/h4-6H,1,13H2,2-3H3/b6-5-
InChIKeySMYIGPFDNKEIAZ-WAYWQWQTSA-N
MW206.17 g/mol
LogP3.46
Rot. Bonds4

About [difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane

[difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane (PubChem CID 142531243) has the molecular formula C9H13F2OP and a molecular weight of 206.17 g/mol. Its IUPAC name is [difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane.

Molecular Properties

Compound Name[difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane
PubChem CID142531243
Molecular FormulaC9H13F2OP
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane
SMILESC=C/C=C\C(OC(F)(F)P)=C(C)C
InChIInChI=1S/C9H13F2OP/c1-4-5-6-8(7(2)3)12-9(10,11)13/h4-6H,1,13H2,2-3H3/b6-5-
InChIKeySMYIGPFDNKEIAZ-WAYWQWQTSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene
CID 89381368
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
(3Z,6Z)-4-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
CID 145164686
(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene
CID 142987715
ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene
CID 142204097
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(2Z,4Z)-2-phosphanylhepta-2,4,6-trien-3-amine
CID 139493202
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
6-bromo-5-methylidenehepta-1,3-diene
CID 123730228
(2Z,4Z)-hepta-2,4,6-triene-2,3-diol
CID 130419647
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250

Frequently Asked Questions

What is the IUPAC name of [difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane?
The IUPAC name of [difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane (CID 142531243) is [difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane.
What is the SMILES notation for [difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane?
The canonical SMILES for [difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane is C=C/C=C\C(OC(F)(F)P)=C(C)C.
What is the InChIKey of [difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane?
The InChIKey is SMYIGPFDNKEIAZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H13F2OP/c1-4-5-6-8(7(2)3)12-9(10,11)13/h4-6H,1,13H2,2-3H3/b6-5-.
What are the key properties of [difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane?
[difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane has a molecular weight of 206.17 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane is sourced from PubChem (CID 142531243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).