[(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane

C12H16FP — CID 143018982

IUPAC[(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane
SMILESC=C(P)/C(=C/F)CC1CC2C=CC1C2
InChIInChI=1S/C12H16FP/c1-8(14)12(7-13)6-11-5-9-2-3-10(11)4-9/h2-3,7,9-11H,1,4-6,14H2/b12-7+
InChIKeyAXFZPNHXEOBXHN-KPKJPENVSA-N
MW210.23 g/mol
LogP3.83
Rot. Bonds3

About [(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane

[(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane (PubChem CID 143018982) has the molecular formula C12H16FP and a molecular weight of 210.23 g/mol. Its IUPAC name is [(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane.

Molecular Properties

Compound Name[(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane
PubChem CID143018982
Molecular FormulaC12H16FP
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name[(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane
SMILESC=C(P)/C(=C/F)CC1CC2C=CC1C2
InChIInChI=1S/C12H16FP/c1-8(14)12(7-13)6-11-5-9-2-3-10(11)4-9/h2-3,7,9-11H,1,4-6,14H2/b12-7+
InChIKeyAXFZPNHXEOBXHN-KPKJPENVSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bicyclo[2.2.1]hept-5-enyl)-2-oxopropanal
CID 57147896
2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]acetic acid
CID 102120201
2-bicyclo[2.2.1]hept-5-enylmethyl(dihydroxy)silane
CID 71356096
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
2-bicyclo[2.2.1]hept-5-enylmethyl 2-fluoroprop-2-enoate
CID 139381242
5-(2-methylpropyl)bicyclo[2.2.1]hept-2-ene
CID 21079931
5-[(2,3,4,5,6-pentafluorophenyl)methyl]bicyclo[2.2.1]hept-2-ene
CID 58813245
5-(2-ethylidene-5-methylhept-4-enyl)bicyclo[2.2.1]hept-2-ene
CID 54543469
CID 123207984
CID 123207984
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane?
The IUPAC name of [(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane (CID 143018982) is [(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane.
What is the SMILES notation for [(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane?
The canonical SMILES for [(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane is C=C(P)/C(=C/F)CC1CC2C=CC1C2.
What is the InChIKey of [(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane?
The InChIKey is AXFZPNHXEOBXHN-KPKJPENVSA-N. The full InChI is InChI=1S/C12H16FP/c1-8(14)12(7-13)6-11-5-9-2-3-10(11)4-9/h2-3,7,9-11H,1,4-6,14H2/b12-7+.
What are the key properties of [(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane?
[(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane has a molecular weight of 210.23 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-fluorobuta-1,3-dien-2-yl]phosphane is sourced from PubChem (CID 143018982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).