1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene

C14H8F8 — CID 172861421

IUPAC1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene
SMILESFC(c1ccc2ccccc2c1C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H8F8/c15-11(13(17,18)19)9-6-5-7-3-1-2-4-8(7)10(9)12(16)14(20,21)22/h1-6,11-12H
InChIKeyZKEDXDJTLACMJS-UHFFFAOYSA-N
MW328.20 g/mol
LogP5.99
Rot. Bonds2

About 1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene

1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene (PubChem CID 172861421) has the molecular formula C14H8F8 and a molecular weight of 328.20 g/mol. Its IUPAC name is 1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene.

Molecular Properties

Compound Name1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene
PubChem CID172861421
Molecular FormulaC14H8F8
Molecular Weight328.20 g/mol
Exact Mass328.05
IUPAC Name1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene
SMILESFC(c1ccc2ccccc2c1C(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H8F8/c15-11(13(17,18)19)9-6-5-7-3-1-2-4-8(7)10(9)12(16)14(20,21)22/h1-6,11-12H
InChIKeyZKEDXDJTLACMJS-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.20
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-bis(1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,11,12,12-octadecafluorododecyl)naphthalene
CID 87149674
(1R)-2,2,2-trifluoro-1-(2-methylnaphthalen-1-yl)ethanol
CID 14810052
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
2-chloro-1-(difluoromethyl)naphthalene
CID 119014029
(1R)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512241
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine
CID 66512251
(1S)-1-(2-ethoxynaphthalen-1-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171250833
2-(difluoromethyl)-1-methylnaphthalene;ethane
CID 142518689
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
CID 81432025
1,2-di(propan-2-yl)naphthalene;1H-pyrrole
CID 175415753

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene?
The IUPAC name of 1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene (CID 172861421) is 1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene.
What is the SMILES notation for 1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene?
The canonical SMILES for 1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene is FC(c1ccc2ccccc2c1C(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene?
The InChIKey is ZKEDXDJTLACMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F8/c15-11(13(17,18)19)9-6-5-7-3-1-2-4-8(7)10(9)12(16)14(20,21)22/h1-6,11-12H.
What are the key properties of 1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene?
1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene has a molecular weight of 328.20 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1,2,2,2-tetrafluoroethyl)naphthalene is sourced from PubChem (CID 172861421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).