(1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene

C14H20FI — CID 167021940

IUPAC(1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene
SMILESFC1(I)CCCCC[C@@H]2C3=CCCCC3C21
InChIInChI=1S/C14H20FI/c15-14(16)9-5-1-2-7-11-10-6-3-4-8-12(10)13(11)14/h6,11-13H,1-5,7-9H2/t11-,12?,13?,14?/m1/s1
InChIKeyVPSBTXKQYWQBCX-NTXGFPLRSA-N
MW334.22 g/mol
LogP5.02
Rot. Bonds

About (1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene

(1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene (PubChem CID 167021940) has the molecular formula C14H20FI and a molecular weight of 334.22 g/mol. Its IUPAC name is (1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene.

Molecular Properties

Compound Name(1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene
PubChem CID167021940
Molecular FormulaC14H20FI
Molecular Weight334.22 g/mol
Exact Mass334.06
IUPAC Name(1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene
SMILESFC1(I)CCCCC[C@@H]2C3=CCCCC3C21
InChIInChI=1S/C14H20FI/c15-14(16)9-5-1-2-7-11-10-6-3-4-8-12(10)13(11)14/h6,11-13H,1-5,7-9H2/t11-,12?,13?,14?/m1/s1
InChIKeyVPSBTXKQYWQBCX-NTXGFPLRSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.22
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 7001562
tricyclo[9.7.0.02,10]octadeca-1(18),2-diene
CID 158410257
(8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
CID 91699542
(6R)-7,8-dimethylbicyclo[4.2.0]oct-1-ene
CID 163443235
(4aR,6S,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 25422395
(4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 25422397
(4aS,6R,6aS,10bS)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 11872594
(4aS,6S,6aR,10bS)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 11872593
8-methyl-8-(2-methylbutyl)tricyclo[4.3.0.07,9]non-1-ene
CID 123394341
1-cyclododecyl-2-cyclohexyl-3-cyclopentylcyclopentadecane-1,2,3-triamine
CID 151791002
2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol
CID 928986
(2R)-2-cyclohexyl-1,1-difluorocyclohexane
CID 125450825

Frequently Asked Questions

What is the IUPAC name of (1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene?
The IUPAC name of (1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene (CID 167021940) is (1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene.
What is the SMILES notation for (1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene?
The canonical SMILES for (1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene is FC1(I)CCCCC[C@@H]2C3=CCCCC3C21.
What is the InChIKey of (1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene?
The InChIKey is VPSBTXKQYWQBCX-NTXGFPLRSA-N. The full InChI is InChI=1S/C14H20FI/c15-14(16)9-5-1-2-7-11-10-6-3-4-8-12(10)13(11)14/h6,11-13H,1-5,7-9H2/t11-,12?,13?,14?/m1/s1.
What are the key properties of (1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene?
(1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene has a molecular weight of 334.22 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-9-fluoro-9-iodotricyclo[6.6.0.02,7]tetradec-2-ene is sourced from PubChem (CID 167021940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).