2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene

C19H17F3 — CID 139849264

IUPAC2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/c1cc(F)c(C2CCc3ccc(F)cc3C2)c(F)c1
InChIInChI=1S/C19H17F3/c1-2-3-12-8-17(21)19(18(22)9-12)14-5-4-13-6-7-16(20)11-15(13)10-14/h2-3,6-9,11,14H,4-5,10H2,1H3/b3-2+
InChIKeyHCSIXUFHQMLYDZ-NSCUHMNNSA-N
MW302.34 g/mol
LogP5.41
Rot. Bonds2

About 2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene

2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 139849264) has the molecular formula C19H17F3 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID139849264
Molecular FormulaC19H17F3
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/c1cc(F)c(C2CCc3ccc(F)cc3C2)c(F)c1
InChIInChI=1S/C19H17F3/c1-2-3-12-8-17(21)19(18(22)9-12)14-5-4-13-6-7-16(20)11-15(13)10-14/h2-3,6-9,11,14H,4-5,10H2,1H3/b3-2+
InChIKeyHCSIXUFHQMLYDZ-NSCUHMNNSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.34
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene (CID 139849264) is 2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene is C/C=C/c1cc(F)c(C2CCc3ccc(F)cc3C2)c(F)c1.
What is the InChIKey of 2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HCSIXUFHQMLYDZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H17F3/c1-2-3-12-8-17(21)19(18(22)9-12)14-5-4-13-6-7-16(20)11-15(13)10-14/h2-3,6-9,11,14H,4-5,10H2,1H3/b3-2+.
What are the key properties of 2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 302.34 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-[(E)-prop-1-enyl]phenyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139849264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).