3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene

C19H16F4 — CID 139776694

IUPAC3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene
SMILESCCCC=Cc1cc2c(c(F)c1F)-c1c(ccc(F)c1F)CC2
InChIInChI=1S/C19H16F4/c1-2-3-4-5-13-10-12-7-6-11-8-9-14(20)18(22)15(11)16(12)19(23)17(13)21/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyAXVVXBRKIGIIPW-UHFFFAOYSA-N
MW320.33 g/mol
LogP5.82
Rot. Bonds3

About 3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene

3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene (PubChem CID 139776694) has the molecular formula C19H16F4 and a molecular weight of 320.33 g/mol. Its IUPAC name is 3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene
PubChem CID139776694
Molecular FormulaC19H16F4
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Name3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene
SMILESCCCC=Cc1cc2c(c(F)c1F)-c1c(ccc(F)c1F)CC2
InChIInChI=1S/C19H16F4/c1-2-3-4-5-13-10-12-7-6-11-8-9-14(20)18(22)15(11)16(12)19(23)17(13)21/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeyAXVVXBRKIGIIPW-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.33
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene?
The IUPAC name of 3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene (CID 139776694) is 3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene.
What is the SMILES notation for 3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene?
The canonical SMILES for 3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene is CCCC=Cc1cc2c(c(F)c1F)-c1c(ccc(F)c1F)CC2.
What is the InChIKey of 3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene?
The InChIKey is AXVVXBRKIGIIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4/c1-2-3-4-5-13-10-12-7-6-11-8-9-14(20)18(22)15(11)16(12)19(23)17(13)21/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of 3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene?
3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene has a molecular weight of 320.33 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrafluoro-2-pent-1-enyl-9,10-dihydrophenanthrene is sourced from PubChem (CID 139776694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).